EU 5031
TL;DR: EU 5031 (CAS 75494-01-8) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(3-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid
Also Known As: 1,2,3,4-Tetrahydro-2 (3-mercapto-1-oxopropyl)-2-quinolinecarboxylic acid, (2s)-1-(3-sulfanylpropanoyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, (2S)-1-(3-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid, 2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-(3-mercapto-1-oxopropyl)-, (S)-, (S)-1-(3-Mercaptopropanoyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 75494-01-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N([C@@H]1C(=O)O)C(=O)CCS |
| InChIKey | YGYNTRGPFBSTAZ-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EU 5031 (CAS 75494-01-8), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: (2S)-1-(3-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid.
Chemical Property Profile of EU 5031
Property Insights of EU 5031
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EU 5031. With a topological polar surface area (TPSA) of 58.6 Ų, EU 5031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EU 5031 has 2 hydrogen bond donor(s) and 4 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 EU 5031?
The CAS number of EU 5031 is 75494-01-8.
What is the molecular formula of EU 5031?
The molecular formula of EU 5031 is C13H15NO3S.
What is the molecular weight of EU 5031?
The molecular weight of EU 5031 is 265.08 g/mol.
Where can I buy EU 5031?
You can request a quote for EU 5031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EU 5031?
Yes, KEHONG BIO provides custom synthesis services for EU 5031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.