![1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole structure](/static/products/876/876891-19-9.png)
1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole
TL;DR: 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole (CAS 876891-19-9) is a chemical compound with molecular formula C16H16ClN3O and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-chloro-3-methylphenoxy)propyl]benzotriazole
Also Known As: BAS 11721250, 1-[3-(4-chloro-3-methylphenoxy)propyl]benzotriazole, 4-(3-benzotriazolylpropoxy)-1-chloro-2-methylbenzene, VU0507574-1, F3020-0564
| Molecular Formula | C16H16ClN3O |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 3.86222 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.09818 |
| Heavy Atoms | 21 |
| Complexity | 754.1168 |
Chemical Identifiers
| CAS Number | 876891-19-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCCCN2C3=CC=CC=C3N=N2)Cl |
Product Overview
1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole (CAS 876891-19-9), with molecular formula C16H16ClN3O and molecular weight 301.10 g/mol. IUPAC: 1-[3-(4-chloro-3-methylphenoxy)propyl]benzotriazole.
Chemical Property Profile of 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole
Property Insights of 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole
The XLogP value of 3.86222 indicates that 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4-Chloro-3-methylphenoxy)propyl]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-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole?
The CAS number of 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole is 876891-19-9.
What is the molecular formula of 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole?
The molecular formula of 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole is C16H16ClN3O.
What is the molecular weight of 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole?
The molecular weight of 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole is 301.10 g/mol.
Where can I buy 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole?
You can request a quote for 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-Chloro-3-methylphenoxy)propyl]benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.