BAS 00830781
TL;DR: BAS 00830781 (CAS 332026-77-4) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(furan-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00830781, 5-Pyrimidinecarboxylicacid,4-(3-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,ethylester(9CI), ethyl 6-(3-furyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5-carboxylate, 4-Furan-3-yl-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester, 5-pyrimidinecarboxylic acid,4-(3-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,ethyl ester
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 332026-77-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=COC=C2)C |
| InChIKey | KKTDAYOTVMBJGR-UHFFFAOYSA-N |
Product Overview
BAS 00830781 (CAS 332026-77-4), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: ethyl 4-(furan-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00830781
Property Insights of BAS 00830781
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00830781. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00830781. Following Lipinski's Rule of Five, BAS 00830781 has 2 hydrogen bond donor(s) and 4 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 00830781?
The CAS number of BAS 00830781 is 332026-77-4.
What is the molecular formula of BAS 00830781?
The molecular formula of BAS 00830781 is C12H14N2O4.
What is the molecular weight of BAS 00830781?
The molecular weight of BAS 00830781 is 250.10 g/mol.
Where can I buy BAS 00830781?
You can request a quote for BAS 00830781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00830781?
Yes, KEHONG BIO provides custom synthesis services for BAS 00830781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.