2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate
TL;DR: 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate (CAS 306763-74-6) is a chemical compound with molecular formula C20H14IN3O2 and molecular weight 455.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] 3-iodobenzoate
Also Known As: BAS 00219610, [2-(benzotriazol-2-yl)-4-methylphenyl] 3-iodobenzoate, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate, 3-Iodo-benzoic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester
| Molecular Formula | C20H14IN3O2 |
|---|---|
| Molecular Weight | 455.01 g/mol |
| LogP | 4.55272 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.01306 |
| Heavy Atoms | 26 |
| Complexity | 1087.9575 |
Chemical Identifiers
| CAS Number | 306763-74-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)I)N3N=C4C=CC=CC4=N3 |
Product Overview
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate (CAS 306763-74-6), with molecular formula C20H14IN3O2 and molecular weight 455.01 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-iodobenzoate.
Chemical Property Profile of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate
Property Insights of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate
The XLogP value of 4.55272 indicates that 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate has 0 hydrogen bond donor(s) and 4 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 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate?
The CAS number of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate is 306763-74-6.
What is the molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate?
The molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate is C20H14IN3O2.
What is the molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate?
The molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate is 455.01 g/mol.
Where can I buy 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate?
You can request a quote for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.