卡普托胺
TL;DR: 卡普托胺 (CAS 486-17-9) is a chemical compound with molecular formula C21H29NS2 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡普托胺
2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
Also Known As: Captodiame, Captodiamine, Captodiamin, Captodramin, Captodramine
| Molecular Formula | C21H29NS2 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 359.17413 |
| Heavy Atoms | 24 |
| Complexity | 307.0 |
| Melting Point | 124 |
Chemical Identifiers
| CAS Number | 486-17-9 |
|---|---|
| SMILES | CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN(C)C |
| InChIKey | IZLPZXSZLLELBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卡普托胺 (CAS 486-17-9), with molecular formula C21H29NS2 and molecular weight 359.17 g/mol. IUPAC: 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine.
Chemical Property Profile of 卡普托胺
Property Insights of 卡普托胺
The XLogP value of 5.9 indicates that 卡普托胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, 卡普托胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 卡普托胺 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 卡普托胺?
The CAS number of 卡普托胺 is 486-17-9.
What is the molecular formula of 卡普托胺?
The molecular formula of 卡普托胺 is C21H29NS2.
What is the molecular weight of 卡普托胺?
The molecular weight of 卡普托胺 is 359.17 g/mol.
Where can I buy 卡普托胺?
You can request a quote for 卡普托胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡普托胺?
Yes, KEHONG BIO provides custom synthesis services for 卡普托胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.