2-Nitrophenyl 3-iodo-4-methoxybenzoate
TL;DR: 2-Nitrophenyl 3-iodo-4-methoxybenzoate (CAS 494830-77-2) is a chemical compound with molecular formula C14H10INO5 and molecular weight 398.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) 3-iodo-4-methoxybenzoate
Also Known As: 2-nitrophenyl 3-iodo-4-methoxybenzoate, (2-nitrophenyl) 3-iodo-4-methoxybenzoate, AN-329/41306881
| Molecular Formula | C14H10INO5 |
|---|---|
| Molecular Weight | 398.96 g/mol |
| LogP | 3.4272 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.96036 |
| Heavy Atoms | 21 |
| Complexity | 701.5138 |
Chemical Identifiers
| CAS Number | 494830-77-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2[N+](=O)[O-])I |
Product Overview
2-Nitrophenyl 3-iodo-4-methoxybenzoate (CAS 494830-77-2), with molecular formula C14H10INO5 and molecular weight 398.96 g/mol. IUPAC: (2-nitrophenyl) 3-iodo-4-methoxybenzoate.
Chemical Property Profile of 2-Nitrophenyl 3-iodo-4-methoxybenzoate
Property Insights of 2-Nitrophenyl 3-iodo-4-methoxybenzoate
The XLogP value of 3.4272 indicates that 2-Nitrophenyl 3-iodo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl 3-iodo-4-methoxybenzoate. Following Lipinski's Rule of Five, 2-Nitrophenyl 3-iodo-4-methoxybenzoate has 0 hydrogen bond donor(s) and 5 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 3-iodo-4-methoxybenzoate?
The CAS number of 2-Nitrophenyl 3-iodo-4-methoxybenzoate is 494830-77-2.
What is the molecular formula of 2-Nitrophenyl 3-iodo-4-methoxybenzoate?
The molecular formula of 2-Nitrophenyl 3-iodo-4-methoxybenzoate is C14H10INO5.
What is the molecular weight of 2-Nitrophenyl 3-iodo-4-methoxybenzoate?
The molecular weight of 2-Nitrophenyl 3-iodo-4-methoxybenzoate is 398.96 g/mol.
Where can I buy 2-Nitrophenyl 3-iodo-4-methoxybenzoate?
You can request a quote for 2-Nitrophenyl 3-iodo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 3-iodo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 3-iodo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.