BAS 00679743
TL;DR: BAS 00679743 (CAS 330460-37-2) is a chemical compound with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00679743, cyclohexyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, cyclohexyl 4-{4-hydroxy-3-nitrophenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, cyclohexyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C29H30N2O6 |
|---|---|
| Molecular Weight | 502.21 g/mol |
| LogP | 5.5379 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.2104 |
| Heavy Atoms | 37 |
| Complexity | 1306.9319 |
Chemical Identifiers
| CAS Number | 330460-37-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)OC5CCCCC5 |
Product Overview
BAS 00679743 (CAS 330460-37-2), with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol. IUPAC: cyclohexyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00679743
Property Insights of BAS 00679743
The XLogP value of 5.5379 indicates that BAS 00679743 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 00679743. Following Lipinski's Rule of Five, BAS 00679743 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00679743?
The CAS number of BAS 00679743 is 330460-37-2.
What is the molecular formula of BAS 00679743?
The molecular formula of BAS 00679743 is C29H30N2O6.
What is the molecular weight of BAS 00679743?
The molecular weight of BAS 00679743 is 502.21 g/mol.
Where can I buy BAS 00679743?
You can request a quote for BAS 00679743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00679743?
Yes, KEHONG BIO provides custom synthesis services for BAS 00679743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.