![[12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate structure](/static/products/6206/62069-69-6.webp)
[12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate
TL;DR: [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate (CAS 62069-69-6) is a chemical compound with molecular formula C44H55N5O5 and molecular weight 733.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate
Also Known As: [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate|15-(5-Ethyl-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl)-3-hydroxy-16-methoxy-1-methyl-3-(methylcarbamoyl)-6,7-didehydroaspidospermidin-4-yl acetate
| Molecular Formula | C44H55N5O5 |
|---|---|
| Molecular Weight | 733.42 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 733.42035 |
| Heavy Atoms | 54 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 62069-69-6 |
|---|---|
| SMILES | CCC1=CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)C5=CC6=C(C=C5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)NC)O)OC(=O)C)CC)C |
| InChIKey | RNABKIPBPUYAFI-UHFFFAOYSA-N |
Product Overview
[12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate (CAS 62069-69-6), with molecular formula C44H55N5O5 and molecular weight 733.42 g/mol. IUPAC: [12-ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate.
Chemical Property Profile of [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate
Property Insights of [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate
The XLogP value of 3.9 indicates that [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate. Following Lipinski's Rule of Five, [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate?
The CAS number of [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate is 62069-69-6.
What is the molecular formula of [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate?
The molecular formula of [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate is C44H55N5O5.
What is the molecular weight of [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate?
The molecular weight of [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate is 733.42 g/mol.
Where can I buy [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate?
You can request a quote for [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [12-Ethyl-4-(17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-10-(methylcarbamoyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.