2-Nitrophenyl 2-iodobenzoate
TL;DR: 2-Nitrophenyl 2-iodobenzoate (CAS 496033-98-8) is a chemical compound with molecular formula C13H8INO4 and molecular weight 368.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) 2-iodobenzoate
Also Known As: 2-nitrophenyl 2-iodobenzoate, (2-nitrophenyl) 2-iodobenzoate, AN-329/41306876
| Molecular Formula | C13H8INO4 |
|---|---|
| Molecular Weight | 368.95 g/mol |
| LogP | 3.4186 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.9498 |
| Heavy Atoms | 19 |
| Complexity | 642.0453 |
Chemical Identifiers
| CAS Number | 496033-98-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2[N+](=O)[O-])I |
Product Overview
2-Nitrophenyl 2-iodobenzoate (CAS 496033-98-8), with molecular formula C13H8INO4 and molecular weight 368.95 g/mol. IUPAC: (2-nitrophenyl) 2-iodobenzoate.
Chemical Property Profile of 2-Nitrophenyl 2-iodobenzoate
Property Insights of 2-Nitrophenyl 2-iodobenzoate
The XLogP value of 3.4186 indicates that 2-Nitrophenyl 2-iodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl 2-iodobenzoate. Following Lipinski's Rule of Five, 2-Nitrophenyl 2-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-Nitrophenyl 2-iodobenzoate?
The CAS number of 2-Nitrophenyl 2-iodobenzoate is 496033-98-8.
What is the molecular formula of 2-Nitrophenyl 2-iodobenzoate?
The molecular formula of 2-Nitrophenyl 2-iodobenzoate is C13H8INO4.
What is the molecular weight of 2-Nitrophenyl 2-iodobenzoate?
The molecular weight of 2-Nitrophenyl 2-iodobenzoate is 368.95 g/mol.
Where can I buy 2-Nitrophenyl 2-iodobenzoate?
You can request a quote for 2-Nitrophenyl 2-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 2-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 2-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.