BAS 00380988
TL;DR: BAS 00380988 (CAS 295344-52-4) is a chemical compound with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00380988, J3.112.949D, methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C20H22N2O5 |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 3.3718 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.15286 |
| Heavy Atoms | 27 |
| Complexity | 893.4521 |
Chemical Identifiers
| CAS Number | 295344-52-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
BAS 00380988 (CAS 295344-52-4), with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol. IUPAC: methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00380988
Property Insights of BAS 00380988
The XLogP value of 3.3718 indicates that BAS 00380988 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 00380988. Following Lipinski's Rule of Five, BAS 00380988 has 1 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 00380988?
The CAS number of BAS 00380988 is 295344-52-4.
What is the molecular formula of BAS 00380988?
The molecular formula of BAS 00380988 is C20H22N2O5.
What is the molecular weight of BAS 00380988?
The molecular weight of BAS 00380988 is 370.15 g/mol.
Where can I buy BAS 00380988?
You can request a quote for BAS 00380988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380988?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.