N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine
TL;DR: N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine (CAS 103974-27-2) is a chemical compound with molecular formula C52H63N9O8 and molecular weight 941.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13S,15S,17S)-13-[(9R,10S,11R,12R,19R)-10-(2-aminoethylcarbamoyl)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-11-(4-azidobenzoyl)-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Also Known As: NABV, 4-Nabv, N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine, N-(4-Azidobenzoyl)-N'-(2-aminoethyl)vindesine, Methyl (13S,15S,17S)-13-[(9R,10S,11R,12R,19R)-10-(2-aminoethylcarbamoyl)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-11-(4-azidobenzoyl)-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
| Molecular Formula | C52H63N9O8 |
|---|---|
| Molecular Weight | 941.48 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 941.48 |
| Heavy Atoms | 69 |
| Complexity | 2050.0 |
Chemical Identifiers
| CAS Number | 103974-27-2 |
|---|---|
| SMILES | CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3C(=O)C5=CC=C(C=C5)N=[N+]=[N-])(C6=C(C=C7C(=C6)C89CCN1[C@H]8[C@@](C=CC1)([C@H]([C@@]([C@@H]9N7C)(C(=O)NCCN)O)O)CC)OC)C(=O)OC)O |
| InChIKey | JGCLDPQQVPZGTK-NRUYZIJJSA-N |
Product Overview
N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine (CAS 103974-27-2), with molecular formula C52H63N9O8 and molecular weight 941.48 g/mol. IUPAC: methyl (13S,15S,17S)-13-[(9R,10S,11R,12R,19R)-10-(2-aminoethylcarbamoyl)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-11-(4-azidobenzoyl)-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate.
Chemical Property Profile of N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine
Property Insights of N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine
The XLogP value of 4.6 indicates that N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine?
The CAS number of N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine is 103974-27-2.
What is the molecular formula of N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine?
The molecular formula of N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine is C52H63N9O8.
What is the molecular weight of N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine?
The molecular weight of N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine is 941.48 g/mol.
Where can I buy N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine?
You can request a quote for N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.