Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-
TL;DR: Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)- (CAS 79120-77-7) is a chemical compound with molecular formula C24H29N3O4 and molecular weight 423.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,16S,20S)-19-(ethylcarbamoyl)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-3-carboxylate
Also Known As: Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-, Methyl 16-(ethylcarbamoyl)-19alpha-methyl-16,17-didehydro-18-oxayohimban-1-carboxylate, RefChem:367157
| Molecular Formula | C24H29N3O4 |
|---|---|
| Molecular Weight | 423.22 g/mol |
| LogP | 3.2298 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.21582 |
| Heavy Atoms | 31 |
| Complexity | 1072.204 |
Chemical Identifiers
| CAS Number | 79120-77-7 |
|---|---|
| SMILES | CCNC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4C(=O)OC)C |
Product Overview
Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)- (CAS 79120-77-7), with molecular formula C24H29N3O4 and molecular weight 423.22 g/mol. IUPAC: methyl (1S,15R,16S,20S)-19-(ethylcarbamoyl)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-3-carboxylate.
Chemical Property Profile of Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-
Property Insights of Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-
The XLogP value of 3.2298 indicates that Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-. Following Lipinski's Rule of Five, Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)- has 1 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, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-?
The CAS number of Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)- is 79120-77-7.
What is the molecular formula of Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-?
The molecular formula of Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)- is C24H29N3O4.
What is the molecular weight of Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-?
The molecular weight of Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)- is 423.22 g/mol.
Where can I buy Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-?
You can request a quote for Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (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-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.