![1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine structure](/static/products/876/876896-54-7.png)
1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
TL;DR: 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine (CAS 876896-54-7) is a chemical compound with molecular formula C12H17N5 and molecular weight 231.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
Also Known As: ML344 Analog, 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine, BAS 12415198, (4-Isopropyl-benzyl)-(1-methyl-1H-tetrazol-5-yl)-amine, AN-465/41586786
| Molecular Formula | C12H17N5 |
|---|---|
| Molecular Weight | 231.15 g/mol |
| LogP | 1.9456 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.14839 |
| Heavy Atoms | 17 |
| Complexity | 471.89615 |
Chemical Identifiers
| CAS Number | 876896-54-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CNC2=NN=NN2C |
Product Overview
1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine (CAS 876896-54-7), with molecular formula C12H17N5 and molecular weight 231.15 g/mol. IUPAC: 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine.
Chemical Property Profile of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
Property Insights of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
The XLogP value of 1.9456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine. With a topological polar surface area (TPSA) of 55.63 Ų, 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine 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 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The CAS number of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine is 876896-54-7.
What is the molecular formula of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The molecular formula of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine is C12H17N5.
What is the molecular weight of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The molecular weight of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine is 231.15 g/mol.
Where can I buy 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
You can request a quote for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.