BAS 00411116
TL;DR: BAS 00411116 (CAS 299948-16-6) is a chemical compound with molecular formula C23H28ClNO5 and molecular weight 433.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00411116, AB00086277-01, pentyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, pentyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, pentyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahy droquinoline-3-carboxylate
| Molecular Formula | C23H28ClNO5 |
|---|---|
| Molecular Weight | 433.17 g/mol |
| LogP | 4.7555 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.1656 |
| Heavy Atoms | 30 |
| Complexity | 918.4137 |
Chemical Identifiers
| CAS Number | 299948-16-6 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Cl)O)OC)C(=O)CCC2)C |
Product Overview
BAS 00411116 (CAS 299948-16-6), with molecular formula C23H28ClNO5 and molecular weight 433.17 g/mol. IUPAC: pentyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00411116
Property Insights of BAS 00411116
The XLogP value of 4.7555 indicates that BAS 00411116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00411116. Following Lipinski's Rule of Five, BAS 00411116 has 2 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 00411116?
The CAS number of BAS 00411116 is 299948-16-6.
What is the molecular formula of BAS 00411116?
The molecular formula of BAS 00411116 is C23H28ClNO5.
What is the molecular weight of BAS 00411116?
The molecular weight of BAS 00411116 is 433.17 g/mol.
Where can I buy BAS 00411116?
You can request a quote for BAS 00411116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411116?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.