BAS 00380894
TL;DR: BAS 00380894 (CAS 295343-85-0) is a chemical compound with molecular formula C24H30N2O6 and molecular weight 442.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00380894, pentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, Pentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, pentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, pentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroq uinoline-3-carboxylate
| Molecular Formula | C24H30N2O6 |
|---|---|
| Molecular Weight | 442.21 g/mol |
| LogP | 4.6378 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.2104 |
| Heavy Atoms | 32 |
| Complexity | 1021.3158 |
Chemical Identifiers
| CAS Number | 295343-85-0 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00380894 (CAS 295343-85-0), with molecular formula C24H30N2O6 and molecular weight 442.21 g/mol. IUPAC: pentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00380894
Property Insights of BAS 00380894
The XLogP value of 4.6378 indicates that BAS 00380894 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 00380894. Following Lipinski's Rule of Five, BAS 00380894 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 00380894?
The CAS number of BAS 00380894 is 295343-85-0.
What is the molecular formula of BAS 00380894?
The molecular formula of BAS 00380894 is C24H30N2O6.
What is the molecular weight of BAS 00380894?
The molecular weight of BAS 00380894 is 442.21 g/mol.
Where can I buy BAS 00380894?
You can request a quote for BAS 00380894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380894?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.