BAS 00545714
TL;DR: BAS 00545714 (CAS 299453-41-1) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00545714, BIM-0025618.P001, cyclohexyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, cyclohexyl 2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 4.4386 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 956.0951 |
Chemical Identifiers
| CAS Number | 299453-41-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC4CCCCC4 |
Product Overview
BAS 00545714 (CAS 299453-41-1), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: cyclohexyl 2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00545714
Property Insights of BAS 00545714
The XLogP value of 4.4386 indicates that BAS 00545714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00545714. Following Lipinski's Rule of Five, BAS 00545714 has 1 hydrogen bond donor(s) and 6 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 00545714?
The CAS number of BAS 00545714 is 299453-41-1.
What is the molecular formula of BAS 00545714?
The molecular formula of BAS 00545714 is C23H26N2O5.
What is the molecular weight of BAS 00545714?
The molecular weight of BAS 00545714 is 410.18 g/mol.
Where can I buy BAS 00545714?
You can request a quote for BAS 00545714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00545714?
Yes, KEHONG BIO provides custom synthesis services for BAS 00545714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.