N-Deformylvincristine
TL;DR: N-Deformylvincristine (CAS 18172-50-4) is a chemical compound with molecular formula C45H56N4O9 and molecular weight 796.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Also Known As: N-Deformylvincristine, N-Demethylvinblastine, N-Deformylleurocristine, N-Desmethyl Vinblastine, N-Demethylvincaleukoblastine
| Molecular Formula | C45H56N4O9 |
|---|---|
| Molecular Weight | 796.40 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 796.4047 |
| Heavy Atoms | 58 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 18172-50-4 |
|---|---|
| SMILES | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
| InChIKey | OBEIXXHHUOSBLA-UHFFFAOYSA-N |
Product Overview
N-Deformylvincristine (CAS 18172-50-4), with molecular formula C45H56N4O9 and molecular weight 796.40 g/mol. IUPAC: methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate.
Chemical Property Profile of N-Deformylvincristine
Property Insights of N-Deformylvincristine
The XLogP value of 3.6 indicates that N-Deformylvincristine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting N-Deformylvincristine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Deformylvincristine has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Deformylvincristine?
The CAS number of N-Deformylvincristine is 18172-50-4.
What is the molecular formula of N-Deformylvincristine?
The molecular formula of N-Deformylvincristine is C45H56N4O9.
What is the molecular weight of N-Deformylvincristine?
The molecular weight of N-Deformylvincristine is 796.40 g/mol.
Where can I buy N-Deformylvincristine?
You can request a quote for N-Deformylvincristine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Deformylvincristine?
Yes, KEHONG BIO provides custom synthesis services for N-Deformylvincristine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.