Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-
TL;DR: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)- (CAS 72407-37-5) is a chemical compound with molecular formula C23H29ClN4O4 and molecular weight 460.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[(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-carbonyl]amino]carbamate;hydrochloride
Also Known As: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-, Tetrahydroalstonique acide N-(ethoxycarbonyl)hydrazide monochlorhydrate [French], Tetrahydroalstonique acide N-(ethoxycarbonyl)hydrazide monochlorhydrate, Ethyl 2-[(19alpha-methyl-20alpha-16,17-didehydro-18-oxayohimban-16-yl)carbonyl]hydrazine-1-carboxylate--hydrogen chloride (1/1), RefChem:367165
| Molecular Formula | C23H29ClN4O4 |
|---|---|
| Molecular Weight | 460.19 g/mol |
| LogP | 3.2049 |
| Topological Polar Surface Area | 95.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.18774 |
| Heavy Atoms | 32 |
| Complexity | 1051.7909 |
Chemical Identifiers
| CAS Number | 72407-37-5 |
|---|---|
| SMILES | CCOC(=O)NNC(=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-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)- (CAS 72407-37-5), with molecular formula C23H29ClN4O4 and molecular weight 460.19 g/mol. IUPAC: ethyl N-[[(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-carbonyl]amino]carbamate;hydrochloride.
Chemical Property Profile of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-
Property Insights of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-
The XLogP value of 3.2049 indicates that Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-. Following Lipinski's Rule of Five, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)- has 3 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-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-?
The CAS number of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)- is 72407-37-5.
What is the molecular formula of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-?
The molecular formula of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)- is C23H29ClN4O4.
What is the molecular weight of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-?
The molecular weight of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)- is 460.19 g/mol.
Where can I buy Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-?
You can request a quote for Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (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-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.