Vincaleukoblastin-23-oic acid
TL;DR: Vincaleukoblastin-23-oic acid (CAS 60223-77-0) 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.
10-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)-11-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylic acid
Also Known As: Vincaleukoblastin-23-oic acid, 3-(Acetyloxy)-15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-4-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylic acid
| Molecular Formula | C45H56N4O9 |
|---|---|
| Molecular Weight | 796.40 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 796.4047 |
| Heavy Atoms | 58 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 60223-77-0 |
|---|---|
| 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)O)OC(=O)C)O)CC)OC)C(=O)OC)O |
| InChIKey | OEWFCKWUCNKICL-UHFFFAOYSA-N |
Product Overview
Vincaleukoblastin-23-oic acid (CAS 60223-77-0), with molecular formula C45H56N4O9 and molecular weight 796.40 g/mol. IUPAC: 10-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)-11-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylic acid.
Chemical Property Profile of Vincaleukoblastin-23-oic acid
Property Insights of Vincaleukoblastin-23-oic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vincaleukoblastin-23-oic acid. The TPSA of 165.0 Ų indicates high polarity, suggesting Vincaleukoblastin-23-oic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vincaleukoblastin-23-oic acid 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 Vincaleukoblastin-23-oic acid?
The CAS number of Vincaleukoblastin-23-oic acid is 60223-77-0.
What is the molecular formula of Vincaleukoblastin-23-oic acid?
The molecular formula of Vincaleukoblastin-23-oic acid is C45H56N4O9.
What is the molecular weight of Vincaleukoblastin-23-oic acid?
The molecular weight of Vincaleukoblastin-23-oic acid is 796.40 g/mol.
Where can I buy Vincaleukoblastin-23-oic acid?
You can request a quote for Vincaleukoblastin-23-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vincaleukoblastin-23-oic acid?
Yes, KEHONG BIO provides custom synthesis services for Vincaleukoblastin-23-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.