Ethyl 4-amino-3-iodobenzoate
TL;DR: Ethyl 4-amino-3-iodobenzoate (CAS 62875-84-7) is a chemical compound with molecular formula C9H10INO2 and molecular weight 290.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-iodobenzoate
Also Known As: ethyl 4-amino-3-iodobenzoate, Ethyl4-amino-3-iodobenzoate, ethyl 4-amino-3-iodo-benzoate, ethyl 3-iodo-4-aminobenzoate, Benzoic acid, 4-amino-3-iodo-, ethyl ester
| Molecular Formula | C9H10INO2 |
|---|---|
| Molecular Weight | 290.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.97562 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 62875-84-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N)I |
| InChIKey | ICFCBYVKPRHTPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-amino-3-iodobenzoate (CAS 62875-84-7), with molecular formula C9H10INO2 and molecular weight 290.98 g/mol. IUPAC: ethyl 4-amino-3-iodobenzoate.
Chemical Property Profile of Ethyl 4-amino-3-iodobenzoate
Property Insights of Ethyl 4-amino-3-iodobenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-3-iodobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 4-amino-3-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-3-iodobenzoate 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 Ethyl 4-amino-3-iodobenzoate?
The CAS number of Ethyl 4-amino-3-iodobenzoate is 62875-84-7.
What is the molecular formula of Ethyl 4-amino-3-iodobenzoate?
The molecular formula of Ethyl 4-amino-3-iodobenzoate is C9H10INO2.
What is the molecular weight of Ethyl 4-amino-3-iodobenzoate?
The molecular weight of Ethyl 4-amino-3-iodobenzoate is 290.98 g/mol.
Where can I buy Ethyl 4-amino-3-iodobenzoate?
You can request a quote for Ethyl 4-amino-3-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-3-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.