N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine
TL;DR: N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine (CAS 102976-56-7) is a chemical compound with molecular formula C52H62IN9O9 and molecular weight 1081.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 13-[10-[2-[(4-azido-2-hydroxy-3-(125I)iodobenzoyl)amino]ethylcarbamoyl]-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]-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: 4-Nasv, I(125)-Nasv, N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine, Methyl 13-[10-[2-[(4-azido-2-hydroxy-3-(125I)iodanylbenzoyl)amino]ethylcarbamoyl]-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]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate, Vincaleukoblastine, 3-(((2-((4-azido-2-hydroxy-3-(iodo-125I)benzoyl)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-
| Molecular Formula | C52H62IN9O9 |
|---|---|
| Molecular Weight | 1081.37 g/mol |
| LogP | 5.0453 |
| Topological Polar Surface Area | 248.92 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 1081.3717 |
| Heavy Atoms | 71 |
| Complexity | 2925.1929 |
Chemical Identifiers
| CAS Number | 102976-56-7 |
|---|---|
| SMILES | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NCCNC(=O)C1=C(C(=C(C=C1)N=[N+]=[N-])[125I])O)O)O)CC)OC)C(=O)OC)O |
Product Overview
N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine (CAS 102976-56-7), with molecular formula C52H62IN9O9 and molecular weight 1081.37 g/mol. IUPAC: methyl 13-[10-[2-[(4-azido-2-hydroxy-3-(125I)iodobenzoyl)amino]ethylcarbamoyl]-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]-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-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine
Property Insights of N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine
The XLogP value of 5.0453 indicates that N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.92 Ų indicates high polarity, suggesting N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine has 7 hydrogen bond donor(s) and 13 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-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine?
The CAS number of N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine is 102976-56-7.
What is the molecular formula of N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine?
The molecular formula of N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine is C52H62IN9O9.
What is the molecular weight of N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine?
The molecular weight of N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine is 1081.37 g/mol.
Where can I buy N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine?
You can request a quote for N-(4-Azido-3-iodosalicyl)-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-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.