BAS 00714422
TL;DR: BAS 00714422 (CAS 303137-50-0) is a chemical compound with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-nitrophenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00714422, ethyl 4-(4-nitrophenyl)-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, J2.912.061G, ethyl 4-(4-nitrophenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-{4-nitrophenyl}-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C16H19N3O5 |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 2.566 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.13248 |
| Heavy Atoms | 24 |
| Complexity | 681.45825 |
Chemical Identifiers
| CAS Number | 303137-50-0 |
|---|---|
| SMILES | CCCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC |
Product Overview
BAS 00714422 (CAS 303137-50-0), with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol. IUPAC: ethyl 4-(4-nitrophenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00714422
Property Insights of BAS 00714422
The XLogP value of 2.566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00714422. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00714422. Following Lipinski's Rule of Five, BAS 00714422 has 2 hydrogen bond donor(s) and 5 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 00714422?
The CAS number of BAS 00714422 is 303137-50-0.
What is the molecular formula of BAS 00714422?
The molecular formula of BAS 00714422 is C16H19N3O5.
What is the molecular weight of BAS 00714422?
The molecular weight of BAS 00714422 is 333.13 g/mol.
Where can I buy BAS 00714422?
You can request a quote for BAS 00714422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00714422?
Yes, KEHONG BIO provides custom synthesis services for BAS 00714422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.