RefChem:327848
TL;DR: RefChem:327848 (CAS 3686-72-4) is a chemical compound with molecular formula C17H15Cl2NO5S and molecular weight 415.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate
Also Known As: Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide, [4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate, p-(Methylsulfonyl)benzoic acid ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide, [4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfony, 4-(2,2-Dichloro-N-methylacetamido)phenyl 4-(methanesulfonyl)benzoate
| Molecular Formula | C17H15Cl2NO5S |
|---|---|
| Molecular Weight | 415.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.0048 |
| Heavy Atoms | 26 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 3686-72-4 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)C(Cl)Cl |
| InChIKey | NTOUTGFXPUCTLK-UHFFFAOYSA-N |
Product Overview
RefChem:327848 (CAS 3686-72-4), with molecular formula C17H15Cl2NO5S and molecular weight 415.00 g/mol. IUPAC: [4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate.
Chemical Property Profile of RefChem:327848
Property Insights of RefChem:327848
The XLogP value of 3.3 indicates that RefChem:327848 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327848. Following Lipinski's Rule of Five, RefChem:327848 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:327848?
The CAS number of RefChem:327848 is 3686-72-4.
What is the molecular formula of RefChem:327848?
The molecular formula of RefChem:327848 is C17H15Cl2NO5S.
What is the molecular weight of RefChem:327848?
The molecular weight of RefChem:327848 is 415.00 g/mol.
Where can I buy RefChem:327848?
You can request a quote for RefChem:327848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327848?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.