Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester
TL;DR: Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester (CAS 43001-55-4) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-acetamidobenzenesulfonate
Also Known As: phenyl 4-acetamidobenzenesulfonate, Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester, Benzenesulfonic acid, phenyl ester, phenyl 4-acetamidobenzene-1-sulfonate, 4-(Acetylamino)benzenesulfonic acid, phenyl ester
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 43001-55-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2 |
| InChIKey | YTBSBFHQGLBQNI-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester (CAS 43001-55-4), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: phenyl 4-acetamidobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester
Property Insights of Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester has 1 hydrogen bond donor(s) and 4 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 Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester?
The CAS number of Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester is 43001-55-4.
What is the molecular formula of Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester?
The molecular formula of Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester is C14H13NO4S.
What is the molecular weight of Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester?
The molecular weight of Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester is 291.06 g/mol.
Where can I buy Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester?
You can request a quote for Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.