Methyl 2-amino-5-iodobenzoate
TL;DR: Methyl 2-amino-5-iodobenzoate (CAS 77317-55-6) is a chemical compound with molecular formula C8H8INO2 and molecular weight 276.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-5-iodobenzoate
Also Known As: methyl 2-amino-5-iodobenzoate, Methyl 5-Iodoanthranilate, 5-Iodoanthranilic Acid Methyl Ester, Methyl2-amino-5-iodobenzoate, Methyl5-Iodoanthranilate
| Molecular Formula | C8H8INO2 |
|---|---|
| Molecular Weight | 276.96 g/mol |
| LogP | 1.66 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.96 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 77317-55-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)I)N |
Product Overview
Methyl 2-amino-5-iodobenzoate (CAS 77317-55-6), with molecular formula C8H8INO2 and molecular weight 276.96 g/mol. IUPAC: methyl 2-amino-5-iodobenzoate.
Chemical Property Profile of Methyl 2-amino-5-iodobenzoate
Property Insights of Methyl 2-amino-5-iodobenzoate
The XLogP value of 1.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-5-iodobenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 2-amino-5-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-amino-5-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 Methyl 2-amino-5-iodobenzoate?
The CAS number of Methyl 2-amino-5-iodobenzoate is 77317-55-6.
What is the molecular formula of Methyl 2-amino-5-iodobenzoate?
The molecular formula of Methyl 2-amino-5-iodobenzoate is C8H8INO2.
What is the molecular weight of Methyl 2-amino-5-iodobenzoate?
The molecular weight of Methyl 2-amino-5-iodobenzoate is 276.96 g/mol.
Where can I buy Methyl 2-amino-5-iodobenzoate?
You can request a quote for Methyl 2-amino-5-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-5-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-5-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.