RefChem:371343
TL;DR: RefChem:371343 (CAS 3078-85-1) is a chemical compound with molecular formula C12H20NO5PS2 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-4-dimethoxyphosphinothioyloxybenzenesulfonamide
Also Known As: O-p-(Butylsulfamoyl)phenyl O,O-dimethyl phosphorothioate, Phosphorothioic acid, O,O-dimethyl ester, O-ester with N-butyl-p-hydroxybenzenesulfonamide, N-butyl-4-dimethoxyphosphinothioyloxybenzenesulfonamide, PhosphorothioicacidO,O-dimethylO-[4- phenyl]ester, Benzenesulfonamide, N-butyl-p-hydroxy-, O-ester with O,O-dimethylphosphorothioate
| Molecular Formula | C12H20NO5PS2 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 353.05206 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 3078-85-1 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC |
| InChIKey | HTQIEXVOHZYCJE-UHFFFAOYSA-N |
Product Overview
RefChem:371343 (CAS 3078-85-1), with molecular formula C12H20NO5PS2 and molecular weight 353.05 g/mol. IUPAC: N-butyl-4-dimethoxyphosphinothioyloxybenzenesulfonamide.
Chemical Property Profile of RefChem:371343
Property Insights of RefChem:371343
The XLogP value of 3.3 indicates that RefChem:371343 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371343. Following Lipinski's Rule of Five, RefChem:371343 has 1 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:371343?
The CAS number of RefChem:371343 is 3078-85-1.
What is the molecular formula of RefChem:371343?
The molecular formula of RefChem:371343 is C12H20NO5PS2.
What is the molecular weight of RefChem:371343?
The molecular weight of RefChem:371343 is 353.05 g/mol.
Where can I buy RefChem:371343?
You can request a quote for RefChem:371343 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371343?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371343 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.