ICCB4_000314
TL;DR: ICCB4_000314 (CAS 321680-26-6) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-benzyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ICCB4_000314, BAS 13119592, ethyl 1-benzyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 3-benzyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.7902 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 815.66455 |
Chemical Identifiers
| CAS Number | 321680-26-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)CC3=CC=CC=C3)C |
Product Overview
ICCB4_000314 (CAS 321680-26-6), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: ethyl 3-benzyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ICCB4_000314
Property Insights of ICCB4_000314
The XLogP value of 3.7902 indicates that ICCB4_000314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ICCB4_000314 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICCB4_000314 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 ICCB4_000314?
The CAS number of ICCB4_000314 is 321680-26-6.
What is the molecular formula of ICCB4_000314?
The molecular formula of ICCB4_000314 is C21H22N2O3.
What is the molecular weight of ICCB4_000314?
The molecular weight of ICCB4_000314 is 350.16 g/mol.
Where can I buy ICCB4_000314?
You can request a quote for ICCB4_000314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICCB4_000314?
Yes, KEHONG BIO provides custom synthesis services for ICCB4_000314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.