Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-
TL;DR: Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)- (CAS 69284-02-2) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,16R,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14-pentaene-19-carboxylate
Also Known As: Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-, Methyl 17-hydroxy-19-methyl-20,21-didehydro-18-oxayohimban-16-carboxylate, Methyl 17-hydroxy-19beta-methyl-20,21-didehydro-18-oxayohimban-16-carboxylate
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 69284-02-2 |
|---|---|
| SMILES | C[C@@H]1C2=CN3CCC4=C([C@@H]3C[C@@H]2C(C(O1)O)C(=O)OC)NC5=CC=CC=C45 |
| InChIKey | VNZAGMCDYZBYNC-YCPBRXDTSA-N |
Product Overview
Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)- (CAS 69284-02-2), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: methyl (1S,16R,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14-pentaene-19-carboxylate.
Chemical Property Profile of Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-
Property Insights of Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-. Following Lipinski's Rule of Five, Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-?
The CAS number of Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)- is 69284-02-2.
What is the molecular formula of Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-?
The molecular formula of Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)- is C21H24N2O4.
What is the molecular weight of Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-?
The molecular weight of Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)- is 368.17 g/mol.
Where can I buy Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-?
You can request a quote for Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-?
Yes, KEHONG BIO provides custom synthesis services for Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.