RefChem:375286
TL;DR: RefChem:375286 (CAS 54076-97-0) is a chemical compound with molecular formula C14H22ClNO3S and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2,2-dimethyl-1-(4-methylsulfonylphenyl)propan-1-one;hydrochloride
Also Known As: (C8-H16-N-O2.Cl)x-, 2,2-Dimethyl-3-(dimethylamino)-4'-(methylsulfonyl)-propiophenone hydrochloride, 1-(p-Methylsulfonylphenyl)-2,2-dimethyl-3-dimethylamino-1-propanone hydrochloride, 3-(dimethylamino)-2,2-dimethyl-1-[4-(methylsulfonyl)phenyl]propan-1-one hydrochloride(1:1), Chloride salt of trimethylammonioethyl acrylate, homopolymer
| Molecular Formula | C14H22ClNO3S |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.28 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1009 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 54076-97-0 |
|---|---|
| SMILES | CC(C)(CN(C)C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C.Cl |
| InChIKey | UBZSYQJIGPKFTO-UHFFFAOYSA-N |
Product Overview
RefChem:375286 (CAS 54076-97-0), with molecular formula C14H22ClNO3S and molecular weight 319.10 g/mol. IUPAC: 3-(dimethylamino)-2,2-dimethyl-1-(4-methylsulfonylphenyl)propan-1-one;hydrochloride.
Chemical Property Profile of RefChem:375286
Property Insights of RefChem:375286
The XLogP value of 2.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:375286. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:375286. Following Lipinski's Rule of Five, RefChem:375286 has 1 hydrogen bond donor(s) and 4 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:375286?
The CAS number of RefChem:375286 is 54076-97-0.
What is the molecular formula of RefChem:375286?
The molecular formula of RefChem:375286 is C14H22ClNO3S.
What is the molecular weight of RefChem:375286?
The molecular weight of RefChem:375286 is 319.10 g/mol.
Where can I buy RefChem:375286?
You can request a quote for RefChem:375286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:375286?
Yes, KEHONG BIO provides custom synthesis services for RefChem:375286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.