BAS 00381537
TL;DR: BAS 00381537 (CAS 123136-45-8) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00381537, AB00086185-01, methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carbox ylate, methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.7357 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 837.6231 |
Chemical Identifiers
| CAS Number | 123136-45-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
BAS 00381537 (CAS 123136-45-8), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00381537
Property Insights of BAS 00381537
The XLogP value of 2.7357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00381537. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00381537. Following Lipinski's Rule of Five, BAS 00381537 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 00381537?
The CAS number of BAS 00381537 is 123136-45-8.
What is the molecular formula of BAS 00381537?
The molecular formula of BAS 00381537 is C18H18N2O5.
What is the molecular weight of BAS 00381537?
The molecular weight of BAS 00381537 is 342.12 g/mol.
Where can I buy BAS 00381537?
You can request a quote for BAS 00381537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381537?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.