Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester
TL;DR: Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester (CAS 64704-16-1) is a chemical compound with molecular formula C18H20N2O8S2 and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetamidophenyl)sulfonyloxyethyl 4-acetamidobenzenesulfonate
Also Known As: 1,2-Ethanediyl 4-(acetylamino)benzenesulfonate, Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester, Ethane-1,2-diyl bis(4-acetamidobenzene-1-sulfonate), 2-(4-acetamidophenyl)sulfonyloxyethyl 4-acetamidobenzenesulfonate
| Molecular Formula | C18H20N2O8S2 |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.0661 |
| Heavy Atoms | 30 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 64704-16-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)NC(=O)C |
| InChIKey | RIALYRBVVHEHLL-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester (CAS 64704-16-1), with molecular formula C18H20N2O8S2 and molecular weight 456.07 g/mol. IUPAC: 2-(4-acetamidophenyl)sulfonyloxyethyl 4-acetamidobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester
Property Insights of Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester. The TPSA of 162.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester has 2 hydrogen bond donor(s) and 8 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)-, 1,2-ethanediyl ester?
The CAS number of Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester is 64704-16-1.
What is the molecular formula of Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester?
The molecular formula of Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester is C18H20N2O8S2.
What is the molecular weight of Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester?
The molecular weight of Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester is 456.07 g/mol.
Where can I buy Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester?
You can request a quote for Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl 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)-, 1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-(acetylamino)-, 1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.