5-dicarboxylic acid diethyl ester
TL;DR: 5-dicarboxylic acid diethyl ester (CAS 130997-40-9) is a chemical compound with molecular formula C10H11ClF3N3O3S2 and molecular weight 376.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide;hydrochloride
Also Known As: 5-dicarboxylic acid diethyl ester, 2-Imino-6-(trifluoromethoxy)-3(2H)-benzothiazoleethanesulfonamide monohydrochloride, 2-(2-Imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride, 3(2H)-Benzothiazoleethanesulfonamide, 2-imino-6-(trifluoromethoxy)-, monohydrochloride, 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide hydrochloride
| Molecular Formula | C10H11ClF3N3O3S2 |
|---|---|
| Molecular Weight | 376.99 g/mol |
| LogP | 1.79117 |
| Topological Polar Surface Area | 98.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.98825 |
| Heavy Atoms | 22 |
| Complexity | 829.2799 |
Chemical Identifiers
| CAS Number | 130997-40-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCS(=O)(=O)N.Cl |
Product Overview
5-dicarboxylic acid diethyl ester (CAS 130997-40-9), with molecular formula C10H11ClF3N3O3S2 and molecular weight 376.99 g/mol. IUPAC: 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide;hydrochloride.
Chemical Property Profile of 5-dicarboxylic acid diethyl ester
Property Insights of 5-dicarboxylic acid diethyl ester
The XLogP value of 1.79117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-dicarboxylic acid diethyl ester. The TPSA of 98.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-dicarboxylic acid diethyl ester. Following Lipinski's Rule of Five, 5-dicarboxylic acid diethyl ester has 2 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 5-dicarboxylic acid diethyl ester?
The CAS number of 5-dicarboxylic acid diethyl ester is 130997-40-9.
What is the molecular formula of 5-dicarboxylic acid diethyl ester?
The molecular formula of 5-dicarboxylic acid diethyl ester is C10H11ClF3N3O3S2.
What is the molecular weight of 5-dicarboxylic acid diethyl ester?
The molecular weight of 5-dicarboxylic acid diethyl ester is 376.99 g/mol.
Where can I buy 5-dicarboxylic acid diethyl ester?
You can request a quote for 5-dicarboxylic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-dicarboxylic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-dicarboxylic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.