4,5-Dichloro-1-methoxy-1H-benzotriazole
TL;DR: 4,5-Dichloro-1-methoxy-1H-benzotriazole (CAS 76278-90-5) is a chemical compound with molecular formula C7H5Cl2N3O and molecular weight 216.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-1-methoxybenzotriazole
Also Known As: 4,5-dichloro-1-methoxybenzotriazole, 4,5-Dichloro-1-methoxy-1H-benzotriazole, 4,5-Dichloro-1-methoxy-1H-1,2,3-benzotriazole
| Molecular Formula | C7H5Cl2N3O |
|---|---|
| Molecular Weight | 216.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.98097 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 76278-90-5 |
|---|---|
| SMILES | CON1C2=C(C(=C(C=C2)Cl)Cl)N=N1 |
| InChIKey | ADOJOBDYZTXYDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-1-methoxy-1H-benzotriazole (CAS 76278-90-5), with molecular formula C7H5Cl2N3O and molecular weight 216.98 g/mol. IUPAC: 4,5-dichloro-1-methoxybenzotriazole.
Chemical Property Profile of 4,5-Dichloro-1-methoxy-1H-benzotriazole
Property Insights of 4,5-Dichloro-1-methoxy-1H-benzotriazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichloro-1-methoxy-1H-benzotriazole. With a topological polar surface area (TPSA) of 39.9 Ų, 4,5-Dichloro-1-methoxy-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-1-methoxy-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 4,5-Dichloro-1-methoxy-1H-benzotriazole?
The CAS number of 4,5-Dichloro-1-methoxy-1H-benzotriazole is 76278-90-5.
What is the molecular formula of 4,5-Dichloro-1-methoxy-1H-benzotriazole?
The molecular formula of 4,5-Dichloro-1-methoxy-1H-benzotriazole is C7H5Cl2N3O.
What is the molecular weight of 4,5-Dichloro-1-methoxy-1H-benzotriazole?
The molecular weight of 4,5-Dichloro-1-methoxy-1H-benzotriazole is 216.98 g/mol.
Where can I buy 4,5-Dichloro-1-methoxy-1H-benzotriazole?
You can request a quote for 4,5-Dichloro-1-methoxy-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-1-methoxy-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-1-methoxy-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.