BAS 00663557
TL;DR: BAS 00663557 (CAS 314045-74-4) is a chemical compound with molecular formula C14H14ClFN2O3 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00663557, ethyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, AB00087835-01, ethyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C14H14ClFN2O3 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.6701 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0677 |
| Heavy Atoms | 21 |
| Complexity | 610.3952 |
Chemical Identifiers
| CAS Number | 314045-74-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC=C2Cl)F)C |
Product Overview
BAS 00663557 (CAS 314045-74-4), with molecular formula C14H14ClFN2O3 and molecular weight 312.07 g/mol. IUPAC: ethyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00663557
Property Insights of BAS 00663557
The XLogP value of 2.6701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00663557. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00663557. Following Lipinski's Rule of Five, BAS 00663557 has 2 hydrogen bond donor(s) and 3 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 00663557?
The CAS number of BAS 00663557 is 314045-74-4.
What is the molecular formula of BAS 00663557?
The molecular formula of BAS 00663557 is C14H14ClFN2O3.
What is the molecular weight of BAS 00663557?
The molecular weight of BAS 00663557 is 312.07 g/mol.
Where can I buy BAS 00663557?
You can request a quote for BAS 00663557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00663557?
Yes, KEHONG BIO provides custom synthesis services for BAS 00663557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.