Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-
TL;DR: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- (CAS 72880-91-2) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylic acid
Also Known As: Acide tetrahydroalstonique, Acide tetrahydroalstonique [French], Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, (19-alpha,20-alpha)-16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid, 19alpha-Methyl-20alpha-16,17-didehydro-18-oxayohimban-16-carboxylic acid
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 3.0904 |
| Topological Polar Surface Area | 65.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 884.19366 |
Chemical Identifiers
| CAS Number | 72880-91-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45 |
Product Overview
Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- (CAS 72880-91-2), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: (1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylic acid.
Chemical Property Profile of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-
Property Insights of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-
The XLogP value of 3.0904 indicates that Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-. Following Lipinski's Rule of Five, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- has 2 hydrogen bond donor(s) and 3 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, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-?
The CAS number of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- is 72880-91-2.
What is the molecular formula of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-?
The molecular formula of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- is C20H22N2O3.
What is the molecular weight of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-?
The molecular weight of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- is 338.16 g/mol.
Where can I buy Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-?
You can request a quote for Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- 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, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.