4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid
TL;DR: 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid (CAS 63018-17-7) is a chemical compound with molecular formula C10H14N2O3S2 and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid
Also Known As: 4-amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid, 4-amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobuta, 4-Amino-2-[(2-iminocyclopentane-1-carbothioyl)sulfanyl]-4-oxobutanoic acid, Butanoicacid, 4-amino-2-[[(2-iminocyclopentyl)thioxomethyl]thio]-4-oxo-
| Molecular Formula | C10H14N2O3S2 |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.0446 |
| Heavy Atoms | 17 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 63018-17-7 |
|---|---|
| SMILES | C1CC(C(=N)C1)C(=S)SC(CC(=O)N)C(=O)O |
| InChIKey | YQARZTRIYXLMCM-UHFFFAOYSA-N |
Product Overview
4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid (CAS 63018-17-7), with molecular formula C10H14N2O3S2 and molecular weight 274.04 g/mol. IUPAC: 4-amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid.
Chemical Property Profile of 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid
Property Insights of 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid. The TPSA of 162.0 Ų indicates high polarity, suggesting 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid has 3 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 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid?
The CAS number of 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid is 63018-17-7.
What is the molecular formula of 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid?
The molecular formula of 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid is C10H14N2O3S2.
What is the molecular weight of 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid?
The molecular weight of 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid is 274.04 g/mol.
Where can I buy 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid?
You can request a quote for 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.