4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid
TL;DR: 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid (CAS 612043-73-9) is a chemical compound with molecular formula C16H15NO8S2 and molecular weight 413.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]benzoic acid
Also Known As: AB00685929-01, 4-(3,5-bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid, F1360-0644, 4-[3,5-BIS(METHOXYCARBONYL)-4-METHYLTHIOPHENE-2-SULFONAMIDO]BENZOIC ACID, 4-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]benzoic acid
| Molecular Formula | C16H15NO8S2 |
|---|---|
| Molecular Weight | 413.02 g/mol |
| LogP | 2.12872 |
| Topological Polar Surface Area | 136.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.0239 |
| Heavy Atoms | 27 |
| Complexity | 1005.7864 |
Chemical Identifiers
| CAS Number | 612043-73-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)OC |
Product Overview
4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid (CAS 612043-73-9), with molecular formula C16H15NO8S2 and molecular weight 413.02 g/mol. IUPAC: 4-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]benzoic acid.
Chemical Property Profile of 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid
Property Insights of 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid
The XLogP value of 2.12872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid. The TPSA of 136.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid. Following Lipinski's Rule of Five, 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid 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 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid?
The CAS number of 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid is 612043-73-9.
What is the molecular formula of 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid?
The molecular formula of 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid is C16H15NO8S2.
What is the molecular weight of 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid?
The molecular weight of 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid is 413.02 g/mol.
Where can I buy 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid?
You can request a quote for 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.