Vincathicine
TL;DR: Vincathicine (CAS 57665-10-8) is a chemical compound with molecular formula C46H56N4O9 and molecular weight 808.40 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-diazapentacyclo[13.3.1.04,12.04,16.05,10]nonadeca-5,7,9,11-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Also Known As: Vincathicine, 10',16'-Didehydro-9',10'-dihydro-3',9'-cyclovincaleukoblastine, methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazapentacyclo[13.3.1.04,12.04,16.05,10]nonadeca-5,7,9,11-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate, methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazapentacyclo(13.3.1.04,12.04,16.05,10)nonadeca-5,7,9,11-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo(10.6.1.01,9.02,7.016,19)nonadeca-2,4,6,13-tetraene-10-carboxylate
| Molecular Formula | C46H56N4O9 |
|---|---|
| Molecular Weight | 808.40 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 808.4047 |
| Heavy Atoms | 59 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 57665-10-8 |
|---|---|
| SMILES | CCC1(CN2CCC34C1C(C2)CC(C3=NC5=CC=CC=C45)(C6=C(C=C7C(=C6)C89CCN1C8C(C=CC1)(C(C(C9N7C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
| InChIKey | AYFGUFZGUHLVPW-UHFFFAOYSA-N |
Product Overview
Vincathicine (CAS 57665-10-8), with molecular formula C46H56N4O9 and molecular weight 808.40 g/mol. IUPAC: methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazapentacyclo[13.3.1.04,12.04,16.05,10]nonadeca-5,7,9,11-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate.
Chemical Property Profile of Vincathicine
Property Insights of Vincathicine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vincathicine. The TPSA of 151.0 Ų indicates high polarity, suggesting Vincathicine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vincathicine has 2 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 Vincathicine?
The CAS number of Vincathicine is 57665-10-8.
What is the molecular formula of Vincathicine?
The molecular formula of Vincathicine is C46H56N4O9.
What is the molecular weight of Vincathicine?
The molecular weight of Vincathicine is 808.40 g/mol.
Where can I buy Vincathicine?
You can request a quote for Vincathicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vincathicine?
Yes, KEHONG BIO provides custom synthesis services for Vincathicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.