![3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy structure](/static/products/7635/76357-53-4.webp)
3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy
TL;DR: 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy (CAS 76357-53-4) is a chemical compound with molecular formula C18H20N6O3S and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine;4-methylbenzenesulfonic acid
Also Known As: 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy, 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine; 4-methylbenzenesulfonic acid, 3-Benzyl-4,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine;4-methylbenzenesulfonic acid, 3H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 4,7-dihydro-3-(phenylmethyl)-, mono(4-methylbenzenesulfonate), 3H-1,3-Triazolo[4,5-d]pyrimidin-5-amine, 4,7-dihydro-3-(phenylmethyl)-, mono(4-methylbenzenesulfonate)
| Molecular Formula | C18H20N6O3S |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 1.80832 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.13177 |
| Heavy Atoms | 28 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 76357-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1C2=C(NC(=N1)N)N(N=N2)CC3=CC=CC=C3 |
| InChIKey | OKUYZQNMHHRYMF-UHFFFAOYSA-N |
Product Overview
3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy (CAS 76357-53-4), with molecular formula C18H20N6O3S and molecular weight 400.13 g/mol. IUPAC: 3-benzyl-4,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine;4-methylbenzenesulfonic acid.
Chemical Property Profile of 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy
Property Insights of 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy
The XLogP value of 1.80832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy. The TPSA of 144.0 Ų indicates high polarity, suggesting 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy has 3 hydrogen bond donor(s) and 6 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-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy?
The CAS number of 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy is 76357-53-4.
What is the molecular formula of 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy?
The molecular formula of 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy is C18H20N6O3S.
What is the molecular weight of 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy?
The molecular weight of 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy is 400.13 g/mol.
Where can I buy 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy?
You can request a quote for 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.