EU 4865
TL;DR: EU 4865 (CAS 82326-40-7) 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.
2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-3-isoquinolinecarboxylic acid, 2-(3-sulfanylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 2-(3-Mercapto-propionyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-(3-Mercaptopropanoyl)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.1 |
| 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 | 82326-40-7 |
|---|---|
| SMILES | C1C(N(CC2=CC=CC=C21)C(=O)CCS)C(=O)O |
| InChIKey | SBTLGJFPUKNYNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EU 4865 (CAS 82326-40-7), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of EU 4865
Property Insights of EU 4865
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EU 4865. With a topological polar surface area (TPSA) of 58.6 Ų, EU 4865 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EU 4865 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 4865?
The CAS number of EU 4865 is 82326-40-7.
What is the molecular formula of EU 4865?
The molecular formula of EU 4865 is C13H15NO3S.
What is the molecular weight of EU 4865?
The molecular weight of EU 4865 is 265.08 g/mol.
Where can I buy EU 4865?
You can request a quote for EU 4865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EU 4865?
Yes, KEHONG BIO provides custom synthesis services for EU 4865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.