![3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine structure](/static/products/5895/58950-34-8.webp)
3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine
TL;DR: 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine (CAS 58950-34-8) is a chemical compound with molecular formula C12H10Cl3N5 and molecular weight 329.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(trichloromethyl)-4,7-dihydrotriazolo[4,5-d]pyrimidine
Also Known As: 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine, 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 4,7-dihydro-3-(phenylmethyl)-5-(trichloromethyl)-, 3-Benzyl-5-(trichloromethyl)-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidine, 3H-1,3-Triazolo[4,5-d]pyrimidine, 4,7-dihydro-3-(phenylmethyl)-5-(trichloromethyl)-, 3H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE,4,7-DIHYDRO-3-(PHENYLMETHYL)-5-(TRICHLOROMETHYL)-
| Molecular Formula | C12H10Cl3N5 |
|---|---|
| Molecular Weight | 329.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.00018 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 58950-34-8 |
|---|---|
| SMILES | C1C2=C(NC(=N1)C(Cl)(Cl)Cl)N(N=N2)CC3=CC=CC=C3 |
| InChIKey | XGBHYWKRLBPQIB-UHFFFAOYSA-N |
Product Overview
3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine (CAS 58950-34-8), with molecular formula C12H10Cl3N5 and molecular weight 329.00 g/mol. IUPAC: 3-benzyl-5-(trichloromethyl)-4,7-dihydrotriazolo[4,5-d]pyrimidine.
Chemical Property Profile of 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine
Property Insights of 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine. With a topological polar surface area (TPSA) of 55.1 Ų, 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine 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 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine?
The CAS number of 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine is 58950-34-8.
What is the molecular formula of 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine?
The molecular formula of 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine is C12H10Cl3N5.
What is the molecular weight of 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine?
The molecular weight of 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine is 329.00 g/mol.
Where can I buy 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine?
You can request a quote for 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.