1H-Benzotriazole, 1-(o-methoxybenzyl)-
TL;DR: 1H-Benzotriazole, 1-(o-methoxybenzyl)- (CAS 27799-80-0) is a chemical compound with molecular formula C14H13N3O and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methoxyphenyl)methyl]benzotriazole
Also Known As: 1H-Benzotriazole, 1-(o-methoxybenzyl)-, 1-[(2-methoxyphenyl)methyl]benzotriazole, 1-(o-Methoxybenzyl)-1H-benzotriazole, 1-[o-Methoxybenzyl]-1,2,3-benzotriazole, 1H-Benzotriazole, 1-[(2-methoxyphenyl)methyl]-
| Molecular Formula | C14H13N3O |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.10587 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 27799-80-0 |
|---|---|
| SMILES | COC1=CC=CC=C1CN2C3=CC=CC=C3N=N2 |
| InChIKey | DXHUPJQOKXNZES-UHFFFAOYSA-N |
Product Overview
1H-Benzotriazole, 1-(o-methoxybenzyl)- (CAS 27799-80-0), with molecular formula C14H13N3O and molecular weight 239.11 g/mol. IUPAC: 1-[(2-methoxyphenyl)methyl]benzotriazole.
Chemical Property Profile of 1H-Benzotriazole, 1-(o-methoxybenzyl)-
Property Insights of 1H-Benzotriazole, 1-(o-methoxybenzyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole, 1-(o-methoxybenzyl)-. With a topological polar surface area (TPSA) of 39.9 Ų, 1H-Benzotriazole, 1-(o-methoxybenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzotriazole, 1-(o-methoxybenzyl)- has 0 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 1H-Benzotriazole, 1-(o-methoxybenzyl)-?
The CAS number of 1H-Benzotriazole, 1-(o-methoxybenzyl)- is 27799-80-0.
What is the molecular formula of 1H-Benzotriazole, 1-(o-methoxybenzyl)-?
The molecular formula of 1H-Benzotriazole, 1-(o-methoxybenzyl)- is C14H13N3O.
What is the molecular weight of 1H-Benzotriazole, 1-(o-methoxybenzyl)-?
The molecular weight of 1H-Benzotriazole, 1-(o-methoxybenzyl)- is 239.11 g/mol.
Where can I buy 1H-Benzotriazole, 1-(o-methoxybenzyl)-?
You can request a quote for 1H-Benzotriazole, 1-(o-methoxybenzyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole, 1-(o-methoxybenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole, 1-(o-methoxybenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.