1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)
TL;DR: 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) (CAS 198067-01-5) is a chemical compound with molecular formula C8H5Cl2N3O and molecular weight 228.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-yl)-2,2-dichloroethanone
Also Known As: 1H-Benzotriazole, 1-(dichloroacetyl)- (9CI), 1-(benzotriazol-1-yl)-2,2-dichloroethanone, 1-(2,2-dichloroacetyl)-1h-benzotriazole, 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI), 1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dichloroethan-1-one
| Molecular Formula | C8H5Cl2N3O |
|---|---|
| Molecular Weight | 228.98 g/mol |
| LogP | 1.8752 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.98097 |
| Heavy Atoms | 14 |
| Complexity | 480.14606 |
Chemical Identifiers
| CAS Number | 198067-01-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C(Cl)Cl |
Product Overview
1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) (CAS 198067-01-5), with molecular formula C8H5Cl2N3O and molecular weight 228.98 g/mol. IUPAC: 1-(benzotriazol-1-yl)-2,2-dichloroethanone.
Chemical Property Profile of 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)
Property Insights of 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)
The XLogP value of 1.8752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI). With a topological polar surface area (TPSA) of 47.78 Ų, 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) 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 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)?
The CAS number of 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) is 198067-01-5.
What is the molecular formula of 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)?
The molecular formula of 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) is C8H5Cl2N3O.
What is the molecular weight of 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)?
The molecular weight of 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) is 228.98 g/mol.
Where can I buy 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)?
You can request a quote for 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole, 1-(dichloroacetyl)-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.