山麻杆碱
TL;DR: 山麻杆碱 (CAS 28340-21-8) is a chemical compound with molecular formula C17H19NOS2 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山麻杆碱
O-[2-[(dimethylamino)methyl]phenyl] benzylsulfanylmethanethioate
Also Known As: s-benzyl o-{2-[(dimethylamino)methyl]phenyl} carbonodithioate, Benzylsulfanyl-[2-(dimethylaminomethyl)phenoxy]methanethione, O-(2-(Dimethylaminomethyl)phenyl) benzylthiomethanethioate, O-[2-(dimethylaminomethyl)phenyl] benzylsulfanylmethanethioate, Carbonic acid, dithio-, S-benzyl O-(2-(dimethylaminomethyl)phenyl) ester
| Molecular Formula | C17H19NOS2 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.09082 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 28340-21-8 |
|---|---|
| SMILES | CN(C)CC1=CC=CC=C1OC(=S)SCC2=CC=CC=C2 |
| InChIKey | RRYMYXNBYAWWIH-UHFFFAOYSA-N |
Product Overview
山麻杆碱 (CAS 28340-21-8), with molecular formula C17H19NOS2 and molecular weight 317.09 g/mol. IUPAC: O-[2-[(dimethylamino)methyl]phenyl] benzylsulfanylmethanethioate.
Chemical Property Profile of 山麻杆碱
Property Insights of 山麻杆碱
The XLogP value of 4.5 indicates that 山麻杆碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 山麻杆碱. Following Lipinski's Rule of Five, 山麻杆碱 has 0 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 山麻杆碱?
The CAS number of 山麻杆碱 is 28340-21-8.
What is the molecular formula of 山麻杆碱?
The molecular formula of 山麻杆碱 is C17H19NOS2.
What is the molecular weight of 山麻杆碱?
The molecular weight of 山麻杆碱 is 317.09 g/mol.
Where can I buy 山麻杆碱?
You can request a quote for 山麻杆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山麻杆碱?
Yes, KEHONG BIO provides custom synthesis services for 山麻杆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.