5-Iodo-2-(3-methylbutanoylamino)benzoic acid
TL;DR: 5-Iodo-2-(3-methylbutanoylamino)benzoic acid (CAS 305361-72-2) is a chemical compound with molecular formula C12H14INO3 and molecular weight 347.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-2-(3-methylbutanoylamino)benzoic acid
Also Known As: 5-iodo-2-(3-methylbutanoylamino)benzoic acid, 5-iodo-2-[(3-methylbutanoyl)amino]benzoic acid, BIM-0003784.P001, 5-IODO-2-(3-METHYLBUTANAMIDO)BENZOIC ACID, A2077/0087326
| Molecular Formula | C12H14INO3 |
|---|---|
| Molecular Weight | 347.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.00183 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 305361-72-2 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=C(C=C(C=C1)I)C(=O)O |
| InChIKey | FRWQNGXVTBHRQG-UHFFFAOYSA-N |
Product Overview
5-Iodo-2-(3-methylbutanoylamino)benzoic acid (CAS 305361-72-2), with molecular formula C12H14INO3 and molecular weight 347.00 g/mol. IUPAC: 5-iodo-2-(3-methylbutanoylamino)benzoic acid.
Chemical Property Profile of 5-Iodo-2-(3-methylbutanoylamino)benzoic acid
Property Insights of 5-Iodo-2-(3-methylbutanoylamino)benzoic acid
The XLogP value of 3.1 indicates that 5-Iodo-2-(3-methylbutanoylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Iodo-2-(3-methylbutanoylamino)benzoic acid. Following Lipinski's Rule of Five, 5-Iodo-2-(3-methylbutanoylamino)benzoic acid has 2 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 5-Iodo-2-(3-methylbutanoylamino)benzoic acid?
The CAS number of 5-Iodo-2-(3-methylbutanoylamino)benzoic acid is 305361-72-2.
What is the molecular formula of 5-Iodo-2-(3-methylbutanoylamino)benzoic acid?
The molecular formula of 5-Iodo-2-(3-methylbutanoylamino)benzoic acid is C12H14INO3.
What is the molecular weight of 5-Iodo-2-(3-methylbutanoylamino)benzoic acid?
The molecular weight of 5-Iodo-2-(3-methylbutanoylamino)benzoic acid is 347.00 g/mol.
Where can I buy 5-Iodo-2-(3-methylbutanoylamino)benzoic acid?
You can request a quote for 5-Iodo-2-(3-methylbutanoylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iodo-2-(3-methylbutanoylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodo-2-(3-methylbutanoylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.