RefChem:315037
TL;DR: RefChem:315037 (CAS 20145-44-2) is a chemical compound with molecular formula C13H21ClN2OS and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
Also Known As: N-(2-(Dimethylamino)ethyl)-2-((4-methylphenyl)thio)acetamide monohydrochloride, Acetamide, N-(2-(dimethylamino)ethyl)-2-((4-methylphenyl)thio)-, monohydrochloride, n-[2-(dimethylamino)ethyl]-2-[(4-methylphenyl)sulfanyl]acetamide hydrochloride(1:1), N-(2-dimethylaminoethyl)-2-(4-methylphenyl)sulfanylacetamide hydrochloride, N-[2-(Dimethylamino)ethyl]-2-[(4-methylphenyl)sulfanyl]ethanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C13H21ClN2OS |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 2.18672 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.10632 |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 20145-44-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)NCCN(C)C.Cl |
| InChIKey | FTLGANIESRAARH-UHFFFAOYSA-N |
Product Overview
RefChem:315037 (CAS 20145-44-2), with molecular formula C13H21ClN2OS and molecular weight 288.11 g/mol. IUPAC: N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride.
Chemical Property Profile of RefChem:315037
Property Insights of RefChem:315037
The XLogP value of 2.18672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315037. With a topological polar surface area (TPSA) of 57.6 Ų, RefChem:315037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:315037 has 2 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:315037?
The CAS number of RefChem:315037 is 20145-44-2.
What is the molecular formula of RefChem:315037?
The molecular formula of RefChem:315037 is C13H21ClN2OS.
What is the molecular weight of RefChem:315037?
The molecular weight of RefChem:315037 is 288.11 g/mol.
Where can I buy RefChem:315037?
You can request a quote for RefChem:315037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315037?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.