NCI60_019847
TL;DR: NCI60_019847 (CAS 107290-03-9) is a chemical compound with molecular formula C43H50N4O6 and molecular weight 718.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-ethyl-4-(13-ethylidene-18-methoxycarbonyl-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-trien-5-yl)-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
Also Known As: NCI60_019847, Methyl 12-ethyl-4-[(13Z)-13-ethylidene-18-methoxycarbonyl-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-trien-5-yl]-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
| Molecular Formula | C43H50N4O6 |
|---|---|
| Molecular Weight | 718.37 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 718.37305 |
| Heavy Atoms | 53 |
| Complexity | 1860.0 |
Chemical Identifiers
| CAS Number | 107290-03-9 |
|---|---|
| SMILES | CCC12CCCN3C1C4(CC3)C5=C(C=C(C(=C5)C6=CC7=NC89CCC1C(C8(C7=CC6=O)CCN9CC1=CC)C(=O)OC)OC)N(C4=C(C2)C(=O)OC)C |
| InChIKey | CLSRDWBICGYSOB-UHFFFAOYSA-N |
Product Overview
NCI60_019847 (CAS 107290-03-9), with molecular formula C43H50N4O6 and molecular weight 718.37 g/mol. IUPAC: methyl 12-ethyl-4-(13-ethylidene-18-methoxycarbonyl-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-trien-5-yl)-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate.
Chemical Property Profile of NCI60_019847
Property Insights of NCI60_019847
The XLogP value of 3.9 indicates that NCI60_019847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_019847. Following Lipinski's Rule of Five, NCI60_019847 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_019847?
The CAS number of NCI60_019847 is 107290-03-9.
What is the molecular formula of NCI60_019847?
The molecular formula of NCI60_019847 is C43H50N4O6.
What is the molecular weight of NCI60_019847?
The molecular weight of NCI60_019847 is 718.37 g/mol.
Where can I buy NCI60_019847?
You can request a quote for NCI60_019847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_019847?
Yes, KEHONG BIO provides custom synthesis services for NCI60_019847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.