BAS 00648579
TL;DR: BAS 00648579 (CAS 314052-48-7) is a chemical compound with molecular formula C18H17ClN2O3 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 00648579, AB00094509-01, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquin oline-3-carbonitrile
| Molecular Formula | C18H17ClN2O3 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 3.54568 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.09277 |
| Heavy Atoms | 24 |
| Complexity | 833.401 |
Chemical Identifiers
| CAS Number | 314052-48-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Cl)O)OC)C#N |
Product Overview
BAS 00648579 (CAS 314052-48-7), with molecular formula C18H17ClN2O3 and molecular weight 344.09 g/mol. IUPAC: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of BAS 00648579
Property Insights of BAS 00648579
The XLogP value of 3.54568 indicates that BAS 00648579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00648579. Following Lipinski's Rule of Five, BAS 00648579 has 2 hydrogen bond donor(s) and 5 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 00648579?
The CAS number of BAS 00648579 is 314052-48-7.
What is the molecular formula of BAS 00648579?
The molecular formula of BAS 00648579 is C18H17ClN2O3.
What is the molecular weight of BAS 00648579?
The molecular weight of BAS 00648579 is 344.09 g/mol.
Where can I buy BAS 00648579?
You can request a quote for BAS 00648579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00648579?
Yes, KEHONG BIO provides custom synthesis services for BAS 00648579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.