Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone
TL;DR: Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone (CAS 587841-50-7) is a chemical compound with molecular formula C14H10IN3O and molecular weight 362.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone
Also Known As: CBChromo1_000217, benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone, 1-(3-iodo-4-methylbenzoyl)-1H-1,2,3-benzotriazole, benzotriazolyl 3-iodo-4-methylphenyl ketone, AN-329/41652071
| Molecular Formula | C14H10IN3O |
|---|---|
| Molecular Weight | 362.99 g/mol |
| LogP | 3.03282 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.98685 |
| Heavy Atoms | 19 |
| Complexity | 779.21204 |
Chemical Identifiers
| CAS Number | 587841-50-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)I |
Product Overview
Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone (CAS 587841-50-7), with molecular formula C14H10IN3O and molecular weight 362.99 g/mol. IUPAC: benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone.
Chemical Property Profile of Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone
Property Insights of Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone
The XLogP value of 3.03282 indicates that Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone 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 Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone?
The CAS number of Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone is 587841-50-7.
What is the molecular formula of Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone?
The molecular formula of Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone is C14H10IN3O.
What is the molecular weight of Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone?
The molecular weight of Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone is 362.99 g/mol.
Where can I buy Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone?
You can request a quote for Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-(3-iodo-4-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.