AB00076735-01
TL;DR: AB00076735-01 (CAS 197570-00-6) is a chemical compound with molecular formula C19H15BrN2OS and molecular weight 398.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-4-(4-bromophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: AB00076735-01, 2-(benzylsulfanyl)-4-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-benzylsulfanyl-4-(4-bromophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-(benzylthio)-4-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C19H15BrN2OS |
|---|---|
| Molecular Weight | 398.01 g/mol |
| LogP | 4.72118 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.00885 |
| Heavy Atoms | 24 |
| Complexity | 809.5105 |
Chemical Identifiers
| CAS Number | 197570-00-6 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Br |
Product Overview
AB00076735-01 (CAS 197570-00-6), with molecular formula C19H15BrN2OS and molecular weight 398.01 g/mol. IUPAC: 6-benzylsulfanyl-4-(4-bromophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of AB00076735-01
Property Insights of AB00076735-01
The XLogP value of 4.72118 indicates that AB00076735-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, AB00076735-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00076735-01 has 1 hydrogen bond donor(s) and 3 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 AB00076735-01?
The CAS number of AB00076735-01 is 197570-00-6.
What is the molecular formula of AB00076735-01?
The molecular formula of AB00076735-01 is C19H15BrN2OS.
What is the molecular weight of AB00076735-01?
The molecular weight of AB00076735-01 is 398.01 g/mol.
Where can I buy AB00076735-01?
You can request a quote for AB00076735-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00076735-01?
Yes, KEHONG BIO provides custom synthesis services for AB00076735-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.