BAS 00232713
TL;DR: BAS 00232713 (CAS 295344-53-5) is a chemical compound with molecular formula C18H19F5N2O4 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00232713, 2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, A1032/0048348, 2,2,3,3,3-Pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C18H19F5N2O4 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.1265 |
| Heavy Atoms | 29 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 295344-53-5 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC(C(F)(F)F)(F)F |
| InChIKey | LUTSGRVECBVQAA-UHFFFAOYSA-N |
Product Overview
BAS 00232713 (CAS 295344-53-5), with molecular formula C18H19F5N2O4 and molecular weight 422.13 g/mol. IUPAC: 2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00232713
Property Insights of BAS 00232713
The XLogP value of 3.7 indicates that BAS 00232713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00232713. Following Lipinski's Rule of Five, BAS 00232713 has 2 hydrogen bond donor(s) and 9 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 00232713?
The CAS number of BAS 00232713 is 295344-53-5.
What is the molecular formula of BAS 00232713?
The molecular formula of BAS 00232713 is C18H19F5N2O4.
What is the molecular weight of BAS 00232713?
The molecular weight of BAS 00232713 is 422.13 g/mol.
Where can I buy BAS 00232713?
You can request a quote for BAS 00232713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00232713?
Yes, KEHONG BIO provides custom synthesis services for BAS 00232713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.