Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-
TL;DR: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- (CAS 79087-63-1) is a chemical compound with molecular formula C24H31ClN2O3 and molecular weight 430.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (1S,15R,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-carboxylate;hydrochloride
Also Known As: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-, Butyl 19alpha-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate--hydrogen chloride (1/1), RefChem:367166
| Molecular Formula | C24H31ClN2O3 |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 4.7709 |
| Topological Polar Surface Area | 54.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.20233 |
| Heavy Atoms | 30 |
| Complexity | 953.07416 |
Chemical Identifiers
| CAS Number | 79087-63-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)C.Cl |
Product Overview
Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- (CAS 79087-63-1), with molecular formula C24H31ClN2O3 and molecular weight 430.20 g/mol. IUPAC: butyl (1S,15R,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-carboxylate;hydrochloride.
Chemical Property Profile of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-
Property Insights of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-
The XLogP value of 4.7709 indicates that Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.56 Ų, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- has 1 hydrogen bond donor(s) and 4 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-, butyl ester, monohydrochloride, (19-alpha)-?
The CAS number of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- is 79087-63-1.
What is the molecular formula of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-?
The molecular formula of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- is C24H31ClN2O3.
What is the molecular weight of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-?
The molecular weight of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- is 430.20 g/mol.
Where can I buy Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-?
You can request a quote for Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-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-, butyl ester, monohydrochloride, (19-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.