RefChem:373049
TL;DR: RefChem:373049 (CAS 102071-01-2) is a chemical compound with molecular formula C20H25Cl3N2S and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline;hydrochloride
Also Known As: C20-H24-Cl2-N2-S.Cl-H.1/2H2-O, Piperidine, 1-(3-(5-chloro-2-((p-chlorophenyl)thio)anilino)propyl)-, monohydrochloride, hemihydrate, 2-(3-Piperidinopropylamino)-4,4'-dichlorodiphenyl sulphide hydrochloride hemihydrate, 5-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline hydrochloride, 5-Chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(piperidin-1-yl)propyl]aniline--hydrogen chloride (1/1)
| Molecular Formula | C20H25Cl3N2S |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 6.8543 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.0804 |
| Heavy Atoms | 26 |
| Complexity | 673.25653 |
Chemical Identifiers
| CAS Number | 102071-01-2 |
|---|---|
| SMILES | C1CCN(CC1)CCCNC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)Cl.Cl |
Product Overview
RefChem:373049 (CAS 102071-01-2), with molecular formula C20H25Cl3N2S and molecular weight 430.08 g/mol. IUPAC: 5-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline;hydrochloride.
Chemical Property Profile of RefChem:373049
Property Insights of RefChem:373049
The XLogP value of 6.8543 indicates that RefChem:373049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, RefChem:373049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373049 has 1 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 RefChem:373049?
The CAS number of RefChem:373049 is 102071-01-2.
What is the molecular formula of RefChem:373049?
The molecular formula of RefChem:373049 is C20H25Cl3N2S.
What is the molecular weight of RefChem:373049?
The molecular weight of RefChem:373049 is 430.08 g/mol.
Where can I buy RefChem:373049?
You can request a quote for RefChem:373049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373049?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.