![3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID structure](/static/products/836/836645-56-8.png)
3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID
TL;DR: 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID (CAS 836645-56-8) is a chemical compound with molecular formula C21H18ClN5O3 and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid
Also Known As: 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID, 4-((7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-4-oxobutanoic acid, 4-[[7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid, 4-{[7-(4-chlorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C21H18ClN5O3 |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 3.7908 |
| Topological Polar Surface Area | 109.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.1098 |
| Heavy Atoms | 30 |
| Complexity | 1109.4303 |
Chemical Identifiers
| CAS Number | 836645-56-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(N3C(=NC(=N3)NC(=O)CCC(=O)O)N2)C4=CC=C(C=C4)Cl |
Product Overview
3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID (CAS 836645-56-8), with molecular formula C21H18ClN5O3 and molecular weight 423.11 g/mol. IUPAC: 4-[[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID
Property Insights of 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID
The XLogP value of 3.7908 indicates that 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID. Following Lipinski's Rule of Five, 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID has 3 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 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID?
The CAS number of 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID is 836645-56-8.
What is the molecular formula of 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID?
The molecular formula of 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID is C21H18ClN5O3.
What is the molecular weight of 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID?
The molecular weight of 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID is 423.11 g/mol.
Where can I buy 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID?
You can request a quote for 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.