RefChem:315974
TL;DR: RefChem:315974 (CAS 105892-10-2) is a chemical compound with molecular formula C14H22ClNO5S and molecular weight 351.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanylacetic acid;2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol
Also Known As: ((4-Chlorophenyl)thio)acetic acid 2-(dimethylamino)-2-(hydroxymethyl)-1,3-propanediol (1:1), Acetic acid, ((4-chlorophenyl)thio)-, compd. with 2-(dimethylamino)-2-(hydroxymethyl)-1,3-propanediol (1:1), 2-(4-chlorophenyl)sulfanylacetic acid;2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol, ((4-Chlorophenyl)thio)aceticacid2-(dimethylamino)-2-(hydroxymethyl)-1,3-propanediol(1:1), 2-(4-chlorophenyl)sulfanylacetic acid; 2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol
| Molecular Formula | C14H22ClNO5S |
|---|---|
| Molecular Weight | 351.09 g/mol |
| LogP | 0.78 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.09073 |
| Heavy Atoms | 22 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 105892-10-2 |
|---|---|
| SMILES | CN(C)C(CO)(CO)CO.C1=CC(=CC=C1SCC(=O)O)Cl |
| InChIKey | VIVVBSGTIOLUOH-UHFFFAOYSA-N |
Product Overview
RefChem:315974 (CAS 105892-10-2), with molecular formula C14H22ClNO5S and molecular weight 351.09 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanylacetic acid;2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol.
Chemical Property Profile of RefChem:315974
Property Insights of RefChem:315974
The XLogP value of 0.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315974. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315974. Following Lipinski's Rule of Five, RefChem:315974 has 4 hydrogen bond donor(s) and 7 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:315974?
The CAS number of RefChem:315974 is 105892-10-2.
What is the molecular formula of RefChem:315974?
The molecular formula of RefChem:315974 is C14H22ClNO5S.
What is the molecular weight of RefChem:315974?
The molecular weight of RefChem:315974 is 351.09 g/mol.
Where can I buy RefChem:315974?
You can request a quote for RefChem:315974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315974?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.