O4-Desacetyl Vinblastinic Acid
TL;DR: O4-Desacetyl Vinblastinic Acid (CAS 60223-75-8) is a chemical compound with molecular formula C43H54N4O8 and molecular weight 754.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)-10,11-dihydroxy-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: 4-Davoa, O4-Desacetyl Vinblastinic Acid, 4-O-Deacetylvinblastine-3-oic acid, 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]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylic acid, 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)-10,11-dihydroxy-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
| Molecular Formula | C43H54N4O8 |
|---|---|
| Molecular Weight | 754.39 g/mol |
| LogP | 3.3317 |
| Topological Polar Surface Area | 159.03 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 754.39417 |
| Heavy Atoms | 55 |
| Complexity | 2118.2646 |
Chemical Identifiers
| CAS Number | 60223-75-8 |
|---|---|
| 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)O)O)CC)OC)C(=O)OC)O |
Product Overview
O4-Desacetyl Vinblastinic Acid (CAS 60223-75-8), with molecular formula C43H54N4O8 and molecular weight 754.39 g/mol. IUPAC: 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)-10,11-dihydroxy-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 O4-Desacetyl Vinblastinic Acid
Property Insights of O4-Desacetyl Vinblastinic Acid
The XLogP value of 3.3317 indicates that O4-Desacetyl Vinblastinic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.03 Ų indicates high polarity, suggesting O4-Desacetyl Vinblastinic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O4-Desacetyl Vinblastinic Acid has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O4-Desacetyl Vinblastinic Acid?
The CAS number of O4-Desacetyl Vinblastinic Acid is 60223-75-8.
What is the molecular formula of O4-Desacetyl Vinblastinic Acid?
The molecular formula of O4-Desacetyl Vinblastinic Acid is C43H54N4O8.
What is the molecular weight of O4-Desacetyl Vinblastinic Acid?
The molecular weight of O4-Desacetyl Vinblastinic Acid is 754.39 g/mol.
Where can I buy O4-Desacetyl Vinblastinic Acid?
You can request a quote for O4-Desacetyl Vinblastinic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O4-Desacetyl Vinblastinic Acid?
Yes, KEHONG BIO provides custom synthesis services for O4-Desacetyl Vinblastinic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.