BAS 00916022
TL;DR: BAS 00916022 (CAS 329066-67-3) is a chemical compound with molecular formula C31H28N2O5 and molecular weight 508.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00916022, 2-phenylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,6,7,8-pentahydroqu inoline-3-carboxylate, phenethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, phenethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C31H28N2O5 |
|---|---|
| Molecular Weight | 508.20 g/mol |
| LogP | 5.7423 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.19983 |
| Heavy Atoms | 38 |
| Complexity | 1426.1112 |
Chemical Identifiers
| CAS Number | 329066-67-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCC5=CC=CC=C5 |
Product Overview
BAS 00916022 (CAS 329066-67-3), with molecular formula C31H28N2O5 and molecular weight 508.20 g/mol. IUPAC: 2-phenylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00916022
Property Insights of BAS 00916022
The XLogP value of 5.7423 indicates that BAS 00916022 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 00916022. Following Lipinski's Rule of Five, BAS 00916022 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00916022?
The CAS number of BAS 00916022 is 329066-67-3.
What is the molecular formula of BAS 00916022?
The molecular formula of BAS 00916022 is C31H28N2O5.
What is the molecular weight of BAS 00916022?
The molecular weight of BAS 00916022 is 508.20 g/mol.
Where can I buy BAS 00916022?
You can request a quote for BAS 00916022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00916022?
Yes, KEHONG BIO provides custom synthesis services for BAS 00916022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.