RefChem:1067398
TL;DR: RefChem:1067398 (CAS 73840-31-0) is a chemical compound with molecular formula C23H30ClN3O5 and molecular weight 463.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,15S,17Z,18R,19S,20S)-17-hydroxyimino-6,18-dimethoxy-3,11,12,14,15,16,18,19,20,21-decahydro-1H-yohimban-19-carboxylate;hydrochloride
Also Known As: Methyl ketoreserpate oxime hydrochloride, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11,17-alpha-dimethoxy-18-beta-oxo-, methyl ester, oxime, hydrochloride, Yohimban-16-carboxylic acid, 18-(hydroxyimino)-11,17-dimethoxy-, methyl ester, monohydrochloride, (3.beta.,16.beta.,17.alpha.,20.alpha.)-, RefChem:1067398
| Molecular Formula | C23H30ClN3O5 |
|---|---|
| Molecular Weight | 463.19 g/mol |
| LogP | 3.1717 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.1874 |
| Heavy Atoms | 32 |
| Complexity | 1038.0535 |
Chemical Identifiers
| CAS Number | 73840-31-0 |
|---|---|
| SMILES | CO[C@@H]\1[C@H]([C@H]2C[C@@H]3C4=C(CCN3C[C@H]2C/C1=N/O)C5=C(N4)C=C(C=C5)OC)C(=O)OC.Cl |
Product Overview
RefChem:1067398 (CAS 73840-31-0), with molecular formula C23H30ClN3O5 and molecular weight 463.19 g/mol. IUPAC: methyl (1R,15S,17Z,18R,19S,20S)-17-hydroxyimino-6,18-dimethoxy-3,11,12,14,15,16,18,19,20,21-decahydro-1H-yohimban-19-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:1067398
Property Insights of RefChem:1067398
The XLogP value of 3.1717 indicates that RefChem:1067398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1067398. Following Lipinski's Rule of Five, RefChem:1067398 has 2 hydrogen bond donor(s) and 7 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 RefChem:1067398?
The CAS number of RefChem:1067398 is 73840-31-0.
What is the molecular formula of RefChem:1067398?
The molecular formula of RefChem:1067398 is C23H30ClN3O5.
What is the molecular weight of RefChem:1067398?
The molecular weight of RefChem:1067398 is 463.19 g/mol.
Where can I buy RefChem:1067398?
You can request a quote for RefChem:1067398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067398?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.