2-(3-Iodophenyl)-5-benzoxazolamine
TL;DR: 2-(3-Iodophenyl)-5-benzoxazolamine (CAS 54995-57-2) is a chemical compound with molecular formula C13H9IN2O and molecular weight 335.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-iodophenyl)-1,3-benzoxazol-5-amine
Also Known As: 2-(3-iodophenyl)-1,3-benzoxazol-5-amine, 2-(3-iodophenyl)benzo[d]oxazol-5-amine, 2-(3-Iodo-phenyl)-benzooxazol-5-ylamine, 2-(3-Iodophenyl)-5-benzoxazolamine, BB_SC-0621
| Molecular Formula | C13H9IN2O |
|---|---|
| Molecular Weight | 335.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.97595 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 54995-57-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)N |
| InChIKey | NXDIGEICTIBJTM-UHFFFAOYSA-N |
Product Overview
2-(3-Iodophenyl)-5-benzoxazolamine (CAS 54995-57-2), with molecular formula C13H9IN2O and molecular weight 335.98 g/mol. IUPAC: 2-(3-iodophenyl)-1,3-benzoxazol-5-amine.
Chemical Property Profile of 2-(3-Iodophenyl)-5-benzoxazolamine
Property Insights of 2-(3-Iodophenyl)-5-benzoxazolamine
The XLogP value of 3.4 indicates that 2-(3-Iodophenyl)-5-benzoxazolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, 2-(3-Iodophenyl)-5-benzoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Iodophenyl)-5-benzoxazolamine has 1 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 2-(3-Iodophenyl)-5-benzoxazolamine?
The CAS number of 2-(3-Iodophenyl)-5-benzoxazolamine is 54995-57-2.
What is the molecular formula of 2-(3-Iodophenyl)-5-benzoxazolamine?
The molecular formula of 2-(3-Iodophenyl)-5-benzoxazolamine is C13H9IN2O.
What is the molecular weight of 2-(3-Iodophenyl)-5-benzoxazolamine?
The molecular weight of 2-(3-Iodophenyl)-5-benzoxazolamine is 335.98 g/mol.
Where can I buy 2-(3-Iodophenyl)-5-benzoxazolamine?
You can request a quote for 2-(3-Iodophenyl)-5-benzoxazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Iodophenyl)-5-benzoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Iodophenyl)-5-benzoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.