RefChem:314287
TL;DR: RefChem:314287 (CAS 3576-68-9) is a chemical compound with molecular formula C14H17Cl2NO5S and molecular weight 381.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl acetate
Also Known As: Acetamide, 2,2-dichloro-N-(2-hydroxyethyl)-N-(p-(methylsulfonyl)benzyl)-, acetate (ester), 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl acetate, 2,2-Dichloro-N-(2-hydroxyethyl)-N-(p-(methylsulfonyl)benzyl)acetamide acetate (ester), 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amin, 2-(2,2-Dichloro-N-{[4-(methanesulfonyl)phenyl]methyl}acetamido)ethyl acetate
| Molecular Formula | C14H17Cl2NO5S |
|---|---|
| Molecular Weight | 381.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.02045 |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 3576-68-9 |
|---|---|
| SMILES | CC(=O)OCCN(CC1=CC=C(C=C1)S(=O)(=O)C)C(=O)C(Cl)Cl |
| InChIKey | FJEZIJKFMNSOQU-UHFFFAOYSA-N |
Product Overview
RefChem:314287 (CAS 3576-68-9), with molecular formula C14H17Cl2NO5S and molecular weight 381.02 g/mol. IUPAC: 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl acetate.
Chemical Property Profile of RefChem:314287
Property Insights of RefChem:314287
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314287. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314287. Following Lipinski's Rule of Five, RefChem:314287 has 0 hydrogen bond donor(s) and 5 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:314287?
The CAS number of RefChem:314287 is 3576-68-9.
What is the molecular formula of RefChem:314287?
The molecular formula of RefChem:314287 is C14H17Cl2NO5S.
What is the molecular weight of RefChem:314287?
The molecular weight of RefChem:314287 is 381.02 g/mol.
Where can I buy RefChem:314287?
You can request a quote for RefChem:314287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314287?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.