2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride
TL;DR: 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride (CAS 2988-58-1) is a chemical compound with molecular formula C13H13ClN2O4S and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-carbamimidoylsulfanyl-1,3-dioxoindene-2-carboxylate;hydrochloride
Also Known As: 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride, ethyl 2-carbamimidoylsulfanyl-1,3-dioxoindene-2-carboxylate hydrochloride, Ethyl 2-(carbamimidoylsulfanyl)-1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C13H13ClN2O4S |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 1.41597 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.02844 |
| Heavy Atoms | 21 |
| Complexity | 597.35223 |
Chemical Identifiers
| CAS Number | 2988-58-1 |
|---|---|
| SMILES | CCOC(=O)C1(C(=O)C2=CC=CC=C2C1=O)SC(=N)N.Cl |
Product Overview
2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride (CAS 2988-58-1), with molecular formula C13H13ClN2O4S and molecular weight 328.03 g/mol. IUPAC: ethyl 2-carbamimidoylsulfanyl-1,3-dioxoindene-2-carboxylate;hydrochloride.
Chemical Property Profile of 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride
Property Insights of 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride
The XLogP value of 1.41597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride. The TPSA of 110.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride. Following Lipinski's Rule of Five, 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride has 2 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 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride?
The CAS number of 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride is 2988-58-1.
What is the molecular formula of 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride?
The molecular formula of 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride is C13H13ClN2O4S.
What is the molecular weight of 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride?
The molecular weight of 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride is 328.03 g/mol.
Where can I buy 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride?
You can request a quote for 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Indancarboxylic aicd, 2-(amidinothio)-1,3-dioxo-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.