Yohimban, 17-beta-chloro-16-alpha-methyl-
TL;DR: Yohimban, 17-beta-chloro-16-alpha-methyl- (CAS 439-65-6) is a chemical compound with molecular formula C20H25ClN2 and molecular weight 328.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15R,18R,19R,20S)-18-chloro-19-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban
Also Known As: Yohimbylalkohol-cycl.-sulfit, 17-Chloro-16-methylyohimban, 17beta-Chloro-16alpha-methylyohimban, 17-beta-Chloro-16-alpha-methylyohimbane, KST-1A4964
| Molecular Formula | C20H25ClN2 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.17062 |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 439-65-6 |
|---|---|
| SMILES | C[C@H]1[C@@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)Cl |
| InChIKey | JOLDHPNEHLCUSL-LURSQZLSSA-N |
Product Overview
Yohimban, 17-beta-chloro-16-alpha-methyl- (CAS 439-65-6), with molecular formula C20H25ClN2 and molecular weight 328.17 g/mol. IUPAC: (1S,15R,18R,19R,20S)-18-chloro-19-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban.
Chemical Property Profile of Yohimban, 17-beta-chloro-16-alpha-methyl-
Property Insights of Yohimban, 17-beta-chloro-16-alpha-methyl-
The XLogP value of 4.6 indicates that Yohimban, 17-beta-chloro-16-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, Yohimban, 17-beta-chloro-16-alpha-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Yohimban, 17-beta-chloro-16-alpha-methyl- has 1 hydrogen bond donor(s) and 1 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 Yohimban, 17-beta-chloro-16-alpha-methyl-?
The CAS number of Yohimban, 17-beta-chloro-16-alpha-methyl- is 439-65-6.
What is the molecular formula of Yohimban, 17-beta-chloro-16-alpha-methyl-?
The molecular formula of Yohimban, 17-beta-chloro-16-alpha-methyl- is C20H25ClN2.
What is the molecular weight of Yohimban, 17-beta-chloro-16-alpha-methyl-?
The molecular weight of Yohimban, 17-beta-chloro-16-alpha-methyl- is 328.17 g/mol.
Where can I buy Yohimban, 17-beta-chloro-16-alpha-methyl-?
You can request a quote for Yohimban, 17-beta-chloro-16-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yohimban, 17-beta-chloro-16-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Yohimban, 17-beta-chloro-16-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.