1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)-
TL;DR: 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- (CAS 74530-03-3) is a chemical compound with molecular formula C14H10ClN3O and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chlorobenzotriazol-1-yl)-(4-methylphenyl)methanone
Also Known As: 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)-, (6-chlorobenzotriazol-1-yl)-(4-methylphenyl)methanone, 6-CHLORO-1-(4-METHYLBENZOYL)-1H-BENZOTRIAZOLE, (6-Chloro-1H-benzo[d][1,2,3]triazol-1-yl)(p-tolyl)methanone, (6-Chloro-1H-1,2,3-benzotriazol-1-yl)(4-methylphenyl)methanone
| Molecular Formula | C14H10ClN3O |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.05124 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 74530-03-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C3=C(C=CC(=C3)Cl)N=N2 |
| InChIKey | MBTZRSGIOIWJQU-UHFFFAOYSA-N |
Product Overview
1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- (CAS 74530-03-3), with molecular formula C14H10ClN3O and molecular weight 271.05 g/mol. IUPAC: (6-chlorobenzotriazol-1-yl)-(4-methylphenyl)methanone.
Chemical Property Profile of 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)-
Property Insights of 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)-
The XLogP value of 3.6 indicates that 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- 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, 6-chloro-1-(4-methylbenzoyl)-?
The CAS number of 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- is 74530-03-3.
What is the molecular formula of 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)-?
The molecular formula of 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- is C14H10ClN3O.
What is the molecular weight of 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)-?
The molecular weight of 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- is 271.05 g/mol.
Where can I buy 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)-?
You can request a quote for 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole, 6-chloro-1-(4-methylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.