![2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid structure](/static/products/5359/535965-68-5.webp)
2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid
TL;DR: 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid (CAS 535965-68-5) is a chemical compound with molecular formula C18H14BrIN2O4S and molecular weight 559.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid, 2-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-5-iodobenzoic acid, 2-[[[[3-(5-Bromo-2-methoxyphenyl)-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C18H14BrIN2O4S |
|---|---|
| Molecular Weight | 559.89 g/mol |
| LogP | 4.2869 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 559.89026 |
| Heavy Atoms | 27 |
| Complexity | 933.5728 |
Chemical Identifiers
| CAS Number | 535965-68-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O |
Product Overview
2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid (CAS 535965-68-5), with molecular formula C18H14BrIN2O4S and molecular weight 559.89 g/mol. IUPAC: 2-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid
Property Insights of 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid
The XLogP value of 4.2869 indicates that 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid. Following Lipinski's Rule of Five, 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid?
The CAS number of 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid is 535965-68-5.
What is the molecular formula of 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid?
The molecular formula of 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid is C18H14BrIN2O4S.
What is the molecular weight of 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid?
The molecular weight of 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid is 559.89 g/mol.
Where can I buy 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid?
You can request a quote for 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.