2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate
TL;DR: 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate (CAS 682763-01-5) is a chemical compound with molecular formula C16H16ClNO6S and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamido-4-chlorophenyl) 2,5-dimethoxybenzenesulfonate
Also Known As: 2-(acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate, (2-acetamido-4-chlorophenyl) 2,5-dimethoxybenzenesulfonate, AP-263/43479693, A3005/0126616, 2,5-Dimethoxybenzenesulfonic acid, (2-acetylamino-4-chlorophenyl) ester
| Molecular Formula | C16H16ClNO6S |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 3.0833 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.0387 |
| Heavy Atoms | 25 |
| Complexity | 897.4931 |
Chemical Identifiers
| CAS Number | 682763-01-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=C(C=CC(=C2)OC)OC |
Product Overview
2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate (CAS 682763-01-5), with molecular formula C16H16ClNO6S and molecular weight 385.04 g/mol. IUPAC: (2-acetamido-4-chlorophenyl) 2,5-dimethoxybenzenesulfonate.
Chemical Property Profile of 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate
Property Insights of 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate
The XLogP value of 3.0833 indicates that 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate. Following Lipinski's Rule of Five, 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate has 1 hydrogen bond donor(s) and 6 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 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate?
The CAS number of 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate is 682763-01-5.
What is the molecular formula of 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate?
The molecular formula of 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate is C16H16ClNO6S.
What is the molecular weight of 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate?
The molecular weight of 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate is 385.04 g/mol.
Where can I buy 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate?
You can request a quote for 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-4-chlorophenyl 2,5-dimethoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.