1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole (CAS 587841-46-1) is a chemical compound with molecular formula C14H10IN3O2 and molecular weight 378.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(3-iodo-4-methoxyphenyl)methanone
Also Known As: CBChromo1_000261, 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole, benzotriazolyl 3-iodo-4-methoxyphenyl ketone, benzotriazol-1-yl-(3-iodo-4-methoxyphenyl)methanone, AN-329/41652067
| Molecular Formula | C14H10IN3O2 |
|---|---|
| Molecular Weight | 378.98 g/mol |
| LogP | 2.733 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.98178 |
| Heavy Atoms | 20 |
| Complexity | 797.96826 |
Chemical Identifiers
| CAS Number | 587841-46-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)I |
Product Overview
1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole (CAS 587841-46-1), with molecular formula C14H10IN3O2 and molecular weight 378.98 g/mol. IUPAC: benzotriazol-1-yl-(3-iodo-4-methoxyphenyl)methanone.
Chemical Property Profile of 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole
The XLogP value of 2.733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 57.01 Ų, 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole 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 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole is 587841-46-1.
What is the molecular formula of 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole is C14H10IN3O2.
What is the molecular weight of 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole is 378.98 g/mol.
Where can I buy 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-iodo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.