1-Butoxy-5-chloro-1H-benzotriazole
TL;DR: 1-Butoxy-5-chloro-1H-benzotriazole (CAS 68229-97-0) is a chemical compound with molecular formula C10H12ClN3O and molecular weight 225.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-5-chlorobenzotriazole
Also Known As: 1-butoxy-5-chlorobenzotriazole, 1-Butoxy-5-chloro-1H-benzotriazole, 1-Butoxy-5-chloro-1H-1,2,3-benzotriazole
| Molecular Formula | C10H12ClN3O |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.0669 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 68229-97-0 |
|---|---|
| SMILES | CCCCON1C2=C(C=C(C=C2)Cl)N=N1 |
| InChIKey | YJUPZGZVGPFZEC-UHFFFAOYSA-N |
Product Overview
1-Butoxy-5-chloro-1H-benzotriazole (CAS 68229-97-0), with molecular formula C10H12ClN3O and molecular weight 225.07 g/mol. IUPAC: 1-butoxy-5-chlorobenzotriazole.
Chemical Property Profile of 1-Butoxy-5-chloro-1H-benzotriazole
Property Insights of 1-Butoxy-5-chloro-1H-benzotriazole
The XLogP value of 3.4 indicates that 1-Butoxy-5-chloro-1H-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, 1-Butoxy-5-chloro-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-5-chloro-1H-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-Butoxy-5-chloro-1H-benzotriazole?
The CAS number of 1-Butoxy-5-chloro-1H-benzotriazole is 68229-97-0.
What is the molecular formula of 1-Butoxy-5-chloro-1H-benzotriazole?
The molecular formula of 1-Butoxy-5-chloro-1H-benzotriazole is C10H12ClN3O.
What is the molecular weight of 1-Butoxy-5-chloro-1H-benzotriazole?
The molecular weight of 1-Butoxy-5-chloro-1H-benzotriazole is 225.07 g/mol.
Where can I buy 1-Butoxy-5-chloro-1H-benzotriazole?
You can request a quote for 1-Butoxy-5-chloro-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-5-chloro-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-5-chloro-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.