BAS 00702969
TL;DR: BAS 00702969 (CAS 5710-83-8) is a chemical compound with molecular formula C17H15FN2O and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 00702969, BIM-0028958.P001, 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, AB00094350-01, 4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C17H15FN2O |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 3.31718 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.11685 |
| Heavy Atoms | 21 |
| Complexity | 724.5508 |
Chemical Identifiers
| CAS Number | 5710-83-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3F)C#N |
Product Overview
BAS 00702969 (CAS 5710-83-8), with molecular formula C17H15FN2O and molecular weight 282.12 g/mol. IUPAC: 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of BAS 00702969
Property Insights of BAS 00702969
The XLogP value of 3.31718 indicates that BAS 00702969 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, BAS 00702969 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00702969 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 BAS 00702969?
The CAS number of BAS 00702969 is 5710-83-8.
What is the molecular formula of BAS 00702969?
The molecular formula of BAS 00702969 is C17H15FN2O.
What is the molecular weight of BAS 00702969?
The molecular weight of BAS 00702969 is 282.12 g/mol.
Where can I buy BAS 00702969?
You can request a quote for BAS 00702969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702969?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.