Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-
TL;DR: Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)- (CAS 135471-72-6) is a chemical compound with molecular formula C17H16N6O3 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(9-methyl-5-oxo-6-propyl-[1,2,4]triazolo[3,4-f]purin-3-yl)benzoic acid
Also Known As: Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-, 4-(6,9-Dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)benzoic acid, 6,9-Dihydro-9-methyl-6-n-propyl-3-(4-carboxyphenyl)-5H-1,2,4-triazolo(3,4-i)purin-5-one, 4-(9-methyl-5-oxo-6-propyl-[1,2,4]triazolo[3,4-f]purin-3-yl)benzoic acid, 4-(9-Methyl-5-oxo-6-propyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-i]purin-3-yl)benzoic acid
| Molecular Formula | C17H16N6O3 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 1.5529 |
| Topological Polar Surface Area | 107.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1284 |
| Heavy Atoms | 26 |
| Complexity | 1199.4106 |
Chemical Identifiers
| CAS Number | 135471-72-6 |
|---|---|
| SMILES | CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)C(=O)O)N(C=N2)C |
Product Overview
Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)- (CAS 135471-72-6), with molecular formula C17H16N6O3 and molecular weight 352.13 g/mol. IUPAC: 4-(9-methyl-5-oxo-6-propyl-[1,2,4]triazolo[3,4-f]purin-3-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-
Property Insights of Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-
The XLogP value of 1.5529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-. The TPSA of 107.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)- 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 Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-?
The CAS number of Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)- is 135471-72-6.
What is the molecular formula of Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-?
The molecular formula of Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)- is C17H16N6O3.
What is the molecular weight of Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-?
The molecular weight of Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)- is 352.13 g/mol.
Where can I buy Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-?
You can request a quote for Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.