1-(4-Hydroxybutyl)benzotriazole
TL;DR: 1-(4-Hydroxybutyl)benzotriazole (CAS 69218-35-5) is a chemical compound with molecular formula C10H13N3O and molecular weight 191.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)butan-1-ol
Also Known As: 4-benzotriazol-1-ylbutan-1-ol, 1H-Benzotriazole-1-(1-butanol), 4-(benzotriazol-1-yl)butan-1-ol, 1-(4-HYDROXYBUTYL)BENZOTRIAZOLE, 4-(1H-1,2,3-benzotriazol-1-yl)butan-1-ol
| Molecular Formula | C10H13N3O |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 1.2038 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.10587 |
| Heavy Atoms | 14 |
| Complexity | 410.41425 |
Chemical Identifiers
| CAS Number | 69218-35-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CCCCO |
Product Overview
1-(4-Hydroxybutyl)benzotriazole (CAS 69218-35-5), with molecular formula C10H13N3O and molecular weight 191.11 g/mol. IUPAC: 4-(benzotriazol-1-yl)butan-1-ol.
Chemical Property Profile of 1-(4-Hydroxybutyl)benzotriazole
Property Insights of 1-(4-Hydroxybutyl)benzotriazole
The XLogP value of 1.2038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Hydroxybutyl)benzotriazole. With a topological polar surface area (TPSA) of 50.94 Ų, 1-(4-Hydroxybutyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Hydroxybutyl)benzotriazole 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 1-(4-Hydroxybutyl)benzotriazole?
The CAS number of 1-(4-Hydroxybutyl)benzotriazole is 69218-35-5.
What is the molecular formula of 1-(4-Hydroxybutyl)benzotriazole?
The molecular formula of 1-(4-Hydroxybutyl)benzotriazole is C10H13N3O.
What is the molecular weight of 1-(4-Hydroxybutyl)benzotriazole?
The molecular weight of 1-(4-Hydroxybutyl)benzotriazole is 191.11 g/mol.
Where can I buy 1-(4-Hydroxybutyl)benzotriazole?
You can request a quote for 1-(4-Hydroxybutyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxybutyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxybutyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.