A4122/0175788
TL;DR: A4122/0175788 (CAS 879600-48-3) is a chemical compound with molecular formula C22H22FN3O2 and molecular weight 379.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-fluorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Also Known As: A4122/0175788, ethyl 4-(3-fluorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate, ethyl 4-(3-fluorophenyl)-2-propyl-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylate, ETHYL 4-(3-FLUOROPHENYL)-2-PROPYL-1,4-DIHYDROPYRIMIDO[1,2-A][1,3]BENZIMIDAZOLE-3-CARBOXYLATE
| Molecular Formula | C22H22FN3O2 |
|---|---|
| Molecular Weight | 379.17 g/mol |
| LogP | 4.8076 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.16962 |
| Heavy Atoms | 28 |
| Complexity | 1070.584 |
Chemical Identifiers
| CAS Number | 879600-48-3 |
|---|---|
| SMILES | CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)F)C(=O)OCC |
Product Overview
A4122/0175788 (CAS 879600-48-3), with molecular formula C22H22FN3O2 and molecular weight 379.17 g/mol. IUPAC: ethyl 4-(3-fluorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate.
Chemical Property Profile of A4122/0175788
Property Insights of A4122/0175788
The XLogP value of 4.8076 indicates that A4122/0175788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, A4122/0175788 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4122/0175788 has 1 hydrogen bond donor(s) and 4 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 A4122/0175788?
The CAS number of A4122/0175788 is 879600-48-3.
What is the molecular formula of A4122/0175788?
The molecular formula of A4122/0175788 is C22H22FN3O2.
What is the molecular weight of A4122/0175788?
The molecular weight of A4122/0175788 is 379.17 g/mol.
Where can I buy A4122/0175788?
You can request a quote for A4122/0175788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4122/0175788?
Yes, KEHONG BIO provides custom synthesis services for A4122/0175788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.