BAS 04996905
TL;DR: BAS 04996905 (CAS 438195-55-2) is a chemical compound with molecular formula C25H26FNO4S and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 04996905, ethyl 4-{4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, ethyl 4-{4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-(4-((4-fluorophenoxy)methyl)-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C25H26FNO4S |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 5.30562 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.15665 |
| Heavy Atoms | 32 |
| Complexity | 1113.4618 |
Chemical Identifiers
| CAS Number | 438195-55-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)COC4=CC=C(C=C4)F)C(=O)CCC2)C |
Product Overview
BAS 04996905 (CAS 438195-55-2), with molecular formula C25H26FNO4S and molecular weight 455.16 g/mol. IUPAC: ethyl 4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 04996905
Property Insights of BAS 04996905
The XLogP value of 5.30562 indicates that BAS 04996905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996905. Following Lipinski's Rule of Five, BAS 04996905 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04996905?
The CAS number of BAS 04996905 is 438195-55-2.
What is the molecular formula of BAS 04996905?
The molecular formula of BAS 04996905 is C25H26FNO4S.
What is the molecular weight of BAS 04996905?
The molecular weight of BAS 04996905 is 455.16 g/mol.
Where can I buy BAS 04996905?
You can request a quote for BAS 04996905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996905?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.