RefChem:1078470
TL;DR: RefChem:1078470 (CAS 2424-69-3) is a chemical compound with molecular formula C22H30ClNOS and molecular weight 391.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-diphenylacetyl)sulfanylethyl-dipropylazanium chloride
Also Known As: Diphenylthioacetic acid S-2-(dipropylamino)ethyl ester hydrochloride, ACETIC ACID, DIPHENYLTHIO-, S-2-(DIPROPYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(2,2-diphenylacetyl)sulfanylethyl-dipropylazanium chloride, Benzeneethanethioic acid, alpha-phenyl-, S-(2-(dipropylamino)ethyl) ester, hydrochloride (1:1), RefChem:1078470
| Molecular Formula | C22H30ClNOS |
|---|---|
| Molecular Weight | 391.17 g/mol |
| LogP | 0.79 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 391.17368 |
| Heavy Atoms | 26 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 2424-69-3 |
|---|---|
| SMILES | CCC[NH+](CCC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-] |
| InChIKey | HRAOWFUEZFOQAQ-UHFFFAOYSA-N |
Product Overview
RefChem:1078470 (CAS 2424-69-3), with molecular formula C22H30ClNOS and molecular weight 391.17 g/mol. IUPAC: 2-(2,2-diphenylacetyl)sulfanylethyl-dipropylazanium chloride.
Chemical Property Profile of RefChem:1078470
Property Insights of RefChem:1078470
The XLogP value of 0.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078470. With a topological polar surface area (TPSA) of 46.8 Ų, RefChem:1078470 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078470 has 1 hydrogen bond donor(s) and 3 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:1078470?
The CAS number of RefChem:1078470 is 2424-69-3.
What is the molecular formula of RefChem:1078470?
The molecular formula of RefChem:1078470 is C22H30ClNOS.
What is the molecular weight of RefChem:1078470?
The molecular weight of RefChem:1078470 is 391.17 g/mol.
Where can I buy RefChem:1078470?
You can request a quote for RefChem:1078470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078470?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.