2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate
TL;DR: 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate (CAS 865593-61-9) is a chemical compound with molecular formula C16H17NO5S and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamidophenyl) 4-methoxy-3-methylbenzenesulfonate
Also Known As: 2-(acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate, (2-acetamidophenyl) 4-methoxy-3-methylbenzenesulfonate, 2-acetamidophenyl 4-methoxy-3-methylbenzene-1-sulfonate, 2-acetamidophenyl 4-methoxy-3-methylbenzenesulfonate, F1451-0046
| Molecular Formula | C16H17NO5S |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 2.72972 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.08273 |
| Heavy Atoms | 23 |
| Complexity | 830.11426 |
Chemical Identifiers
| CAS Number | 865593-61-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2NC(=O)C)OC |
Product Overview
2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate (CAS 865593-61-9), with molecular formula C16H17NO5S and molecular weight 335.08 g/mol. IUPAC: (2-acetamidophenyl) 4-methoxy-3-methylbenzenesulfonate.
Chemical Property Profile of 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate
Property Insights of 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate
The XLogP value of 2.72972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate has 1 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 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate?
The CAS number of 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate is 865593-61-9.
What is the molecular formula of 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate?
The molecular formula of 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate is C16H17NO5S.
What is the molecular weight of 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate?
The molecular weight of 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate is 335.08 g/mol.
Where can I buy 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate?
You can request a quote for 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)phenyl 4-methoxy-3-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.