3,4-diacetoxybenzoic acid chloride
TL;DR: 3,4-diacetoxybenzoic acid chloride (CAS 5793-44-2) is a chemical compound with molecular formula C22H24N4O6S2 and molecular weight 504.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[methylcarbamothioyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: 3,4-diacetoxybenzoic acid chloride, methyl 4-[3-[methylcarbamothioyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate, METHYL 4-[3-[METHYLTHIOCARBAMOYL-[2-(4-SULFAMOYLPHENYL)ETHYL]AMINO]-2,5-DIOXO-PYRROLIDIN-1-YL]BENZOATE, Methyl 4-(3-{(methylcarbamothioyl)[2-(4-sulfamoylphenyl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate
| Molecular Formula | C22H24N4O6S2 |
|---|---|
| Molecular Weight | 504.11 g/mol |
| LogP | 0.8015 |
| Topological Polar Surface Area | 139.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.11374 |
| Heavy Atoms | 34 |
| Complexity | 1212.9608 |
Chemical Identifiers
| CAS Number | 5793-44-2 |
|---|---|
| SMILES | CNC(=S)N(CCC1=CC=C(C=C1)S(=O)(=O)N)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
3,4-diacetoxybenzoic acid chloride (CAS 5793-44-2), with molecular formula C22H24N4O6S2 and molecular weight 504.11 g/mol. IUPAC: methyl 4-[3-[methylcarbamothioyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of 3,4-diacetoxybenzoic acid chloride
Property Insights of 3,4-diacetoxybenzoic acid chloride
The XLogP value of 0.8015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-diacetoxybenzoic acid chloride. The TPSA of 139.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-diacetoxybenzoic acid chloride. Following Lipinski's Rule of Five, 3,4-diacetoxybenzoic acid chloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-diacetoxybenzoic acid chloride?
The CAS number of 3,4-diacetoxybenzoic acid chloride is 5793-44-2.
What is the molecular formula of 3,4-diacetoxybenzoic acid chloride?
The molecular formula of 3,4-diacetoxybenzoic acid chloride is C22H24N4O6S2.
What is the molecular weight of 3,4-diacetoxybenzoic acid chloride?
The molecular weight of 3,4-diacetoxybenzoic acid chloride is 504.11 g/mol.
Where can I buy 3,4-diacetoxybenzoic acid chloride?
You can request a quote for 3,4-diacetoxybenzoic acid chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-diacetoxybenzoic acid chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,4-diacetoxybenzoic acid chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.