RefChem:316601
TL;DR: RefChem:316601 (CAS 3653-50-7) is a chemical compound with molecular formula C14H15Cl4NO5S and molecular weight 448.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[acetyl-[(4-methylsulfonylphenyl)methyl]amino]-2,2-dichloroethyl] 2,2-dichloroacetate
Also Known As: Acetic acid, dichloro-, 2-(2,2-dichloro-N-(p-(methylsulfonyl)benzyl)acetamido)ethyl ester, [2-[acetyl-[(4-methylsulfonylphenyl)methyl]amino]-2,2-dichloroethyl] 2,2-dichloroacetate, 2,2-Dichloro-2-(N-{[4-(methanesulfonyl)phenyl]methyl}acetamido)ethyl dichloroacetate, 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2,2-dichloroacetate, BRN 2824312
| Molecular Formula | C14H15Cl4NO5S |
|---|---|
| Molecular Weight | 448.94 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.93954 |
| Heavy Atoms | 25 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 3653-50-7 |
|---|---|
| SMILES | CC(=O)N(CC1=CC=C(C=C1)S(=O)(=O)C)C(COC(=O)C(Cl)Cl)(Cl)Cl |
| InChIKey | ICAPSSPGFNKHOR-UHFFFAOYSA-N |
Product Overview
RefChem:316601 (CAS 3653-50-7), with molecular formula C14H15Cl4NO5S and molecular weight 448.94 g/mol. IUPAC: [2-[acetyl-[(4-methylsulfonylphenyl)methyl]amino]-2,2-dichloroethyl] 2,2-dichloroacetate.
Chemical Property Profile of RefChem:316601
Property Insights of RefChem:316601
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316601. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316601. Following Lipinski's Rule of Five, RefChem:316601 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:316601?
The CAS number of RefChem:316601 is 3653-50-7.
What is the molecular formula of RefChem:316601?
The molecular formula of RefChem:316601 is C14H15Cl4NO5S.
What is the molecular weight of RefChem:316601?
The molecular weight of RefChem:316601 is 448.94 g/mol.
Where can I buy RefChem:316601?
You can request a quote for RefChem:316601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316601?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.