BAS 00101161
TL;DR: BAS 00101161 (CAS 300689-99-0) is a chemical compound with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00101161, benzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F1057-0056, benzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, phenylmethyl 4-methyl-6-(4-nitrophenyl)-2-oxo-1,3,6-trihydropyrimidine-5-carbo xylate
| Molecular Formula | C19H17N3O5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 2.9661 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.11682 |
| Heavy Atoms | 27 |
| Complexity | 906.7022 |
Chemical Identifiers
| CAS Number | 300689-99-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 00101161 (CAS 300689-99-0), with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol. IUPAC: benzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00101161
Property Insights of BAS 00101161
The XLogP value of 2.9661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00101161. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00101161. Following Lipinski's Rule of Five, BAS 00101161 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 00101161?
The CAS number of BAS 00101161 is 300689-99-0.
What is the molecular formula of BAS 00101161?
The molecular formula of BAS 00101161 is C19H17N3O5.
What is the molecular weight of BAS 00101161?
The molecular weight of BAS 00101161 is 367.12 g/mol.
Where can I buy BAS 00101161?
You can request a quote for BAS 00101161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00101161?
Yes, KEHONG BIO provides custom synthesis services for BAS 00101161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.