BAS 00127118
TL;DR: BAS 00127118 (CAS 296262-85-6) is a chemical compound with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00127118, butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C23H28N2O6 |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 4.2477 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.19473 |
| Heavy Atoms | 31 |
| Complexity | 1005.3191 |
Chemical Identifiers
| CAS Number | 296262-85-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00127118 (CAS 296262-85-6), with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol. IUPAC: butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00127118
Property Insights of BAS 00127118
The XLogP value of 4.2477 indicates that BAS 00127118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00127118. Following Lipinski's Rule of Five, BAS 00127118 has 2 hydrogen bond donor(s) and 7 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 00127118?
The CAS number of BAS 00127118 is 296262-85-6.
What is the molecular formula of BAS 00127118?
The molecular formula of BAS 00127118 is C23H28N2O6.
What is the molecular weight of BAS 00127118?
The molecular weight of BAS 00127118 is 428.19 g/mol.
Where can I buy BAS 00127118?
You can request a quote for BAS 00127118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00127118?
Yes, KEHONG BIO provides custom synthesis services for BAS 00127118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.