BAS 04378287
TL;DR: BAS 04378287 (CAS 347316-35-2) is a chemical compound with molecular formula C18H17F2NO3 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 04378287, methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, A2552/0108680, methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-c arboxylate, 4-(2,5-Difluoro-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid methyl ester
| Molecular Formula | C18H17F2NO3 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.11765 |
| Heavy Atoms | 24 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 347316-35-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)F)F)C(=O)OC |
| InChIKey | BEXDEWNYZFMRFL-UHFFFAOYSA-N |
Product Overview
BAS 04378287 (CAS 347316-35-2), with molecular formula C18H17F2NO3 and molecular weight 333.12 g/mol. IUPAC: methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 04378287
Property Insights of BAS 04378287
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04378287. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 04378287 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04378287 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 04378287?
The CAS number of BAS 04378287 is 347316-35-2.
What is the molecular formula of BAS 04378287?
The molecular formula of BAS 04378287 is C18H17F2NO3.
What is the molecular weight of BAS 04378287?
The molecular weight of BAS 04378287 is 333.12 g/mol.
Where can I buy BAS 04378287?
You can request a quote for BAS 04378287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04378287?
Yes, KEHONG BIO provides custom synthesis services for BAS 04378287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.