5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate
TL;DR: 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate (CAS 431978-44-8) is a chemical compound with molecular formula C16H15NO6S and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-formyl-2-methoxyphenyl) 4-acetamidobenzenesulfonate
Also Known As: 5-formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate, 5-formyl-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate, (5-formyl-2-methoxyphenyl) 4-acetamidobenzenesulfonate, (5-formyl-2-methoxy-phenyl) 4-acetamidobenzenesulfonate, A3065/0129524
| Molecular Formula | C16H15NO6S |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 2.2338 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.062 |
| Heavy Atoms | 24 |
| Complexity | 858.6364 |
Chemical Identifiers
| CAS Number | 431978-44-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=O)OC |
Product Overview
5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate (CAS 431978-44-8), with molecular formula C16H15NO6S and molecular weight 349.06 g/mol. IUPAC: (5-formyl-2-methoxyphenyl) 4-acetamidobenzenesulfonate.
Chemical Property Profile of 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate
Property Insights of 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate
The XLogP value of 2.2338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate. Following Lipinski's Rule of Five, 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate 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 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate?
The CAS number of 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate is 431978-44-8.
What is the molecular formula of 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate?
The molecular formula of 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate is C16H15NO6S.
What is the molecular weight of 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate?
The molecular weight of 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate is 349.06 g/mol.
Where can I buy 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate?
You can request a quote for 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Formyl-2-methoxyphenyl 4-(acetylamino)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.