1-(Oxan-2-yl)-1H-1,2,3-benzotriazole
TL;DR: 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole (CAS 22347-81-5) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(oxan-2-yl)benzotriazole
Also Known As: 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole, starbld0031452, 1-(oxan-2-yl)benzotriazole, 1-tetrahydropyran-2-ylbenzotriazole, NCI60_029557
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 22347-81-5 |
|---|---|
| SMILES | C1CCOC(C1)N2C3=CC=CC=C3N=N2 |
| InChIKey | LEMXRUFANZFVFB-UHFFFAOYSA-N |
Product Overview
1-(Oxan-2-yl)-1H-1,2,3-benzotriazole (CAS 22347-81-5), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 1-(oxan-2-yl)benzotriazole.
Chemical Property Profile of 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole
Property Insights of 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 39.9 Ų, 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole 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 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole is 22347-81-5.
What is the molecular formula of 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole is C11H13N3O.
What is the molecular weight of 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole is 203.11 g/mol.
Where can I buy 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Oxan-2-yl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.