BAS 00714435
TL;DR: BAS 00714435 (CAS 330472-46-3) is a chemical compound with molecular formula C16H18Cl2N2O3 and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-(3,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00714435, isopropyl 4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, propan-2-yl 6-(3,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, methylethyl 6-(3,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,3,6-trihydropyrimidine -5-carboxylate, propan-2-yl 4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C16H18Cl2N2O3 |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 3.9151 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.06946 |
| Heavy Atoms | 23 |
| Complexity | 685.90295 |
Chemical Identifiers
| CAS Number | 330472-46-3 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC(C)C |
Product Overview
BAS 00714435 (CAS 330472-46-3), with molecular formula C16H18Cl2N2O3 and molecular weight 356.07 g/mol. IUPAC: propan-2-yl 6-(3,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00714435
Property Insights of BAS 00714435
The XLogP value of 3.9151 indicates that BAS 00714435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 00714435 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00714435 has 1 hydrogen bond donor(s) and 3 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 00714435?
The CAS number of BAS 00714435 is 330472-46-3.
What is the molecular formula of BAS 00714435?
The molecular formula of BAS 00714435 is C16H18Cl2N2O3.
What is the molecular weight of BAS 00714435?
The molecular weight of BAS 00714435 is 356.07 g/mol.
Where can I buy BAS 00714435?
You can request a quote for BAS 00714435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00714435?
Yes, KEHONG BIO provides custom synthesis services for BAS 00714435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.