BAS 00648573
TL;DR: BAS 00648573 (CAS 5709-40-0) is a chemical compound with molecular formula C17H21N3O5 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00648573, butyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, butyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate, butyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, butyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,3,6-trihydropyrimidine-5-carboxyl ate
| Molecular Formula | C17H21N3O5 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 2.9082 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.14813 |
| Heavy Atoms | 25 |
| Complexity | 711.4984 |
Chemical Identifiers
| CAS Number | 5709-40-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C)C |
Product Overview
BAS 00648573 (CAS 5709-40-0), with molecular formula C17H21N3O5 and molecular weight 347.15 g/mol. IUPAC: butyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00648573
Property Insights of BAS 00648573
The XLogP value of 2.9082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00648573. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00648573. Following Lipinski's Rule of Five, BAS 00648573 has 1 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 00648573?
The CAS number of BAS 00648573 is 5709-40-0.
What is the molecular formula of BAS 00648573?
The molecular formula of BAS 00648573 is C17H21N3O5.
What is the molecular weight of BAS 00648573?
The molecular weight of BAS 00648573 is 347.15 g/mol.
Where can I buy BAS 00648573?
You can request a quote for BAS 00648573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00648573?
Yes, KEHONG BIO provides custom synthesis services for BAS 00648573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.