(2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid
TL;DR: (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid (CAS 5959-50-2) is a chemical compound with molecular formula C12H13IO4 and molecular weight 347.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoic acid
Also Known As: AKOS B005615, (2e)-3-(3-ethoxy-5-iodo-4-methoxyphenyl)acrylic acid, CHEMBRDG-BB 5959502, KST-1A6398, (E)-3-(3-ETHOXY-5-IODO-4-METHOXYPHENYL)ACRYLIC ACID
| Molecular Formula | C12H13IO4 |
|---|---|
| Molecular Weight | 347.99 g/mol |
| LogP | 2.7963 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.98587 |
| Heavy Atoms | 17 |
| Complexity | 440.37692 |
Chemical Identifiers
| CAS Number | 5959-50-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/C(=O)O)I)OC |
Product Overview
(2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid (CAS 5959-50-2), with molecular formula C12H13IO4 and molecular weight 347.99 g/mol. IUPAC: (E)-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid
Property Insights of (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid
The XLogP value of 2.7963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid. With a topological polar surface area (TPSA) of 55.76 Ų, (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid 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 (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid?
The CAS number of (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid is 5959-50-2.
What is the molecular formula of (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid?
The molecular formula of (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid is C12H13IO4.
What is the molecular weight of (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid?
The molecular weight of (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid is 347.99 g/mol.
Where can I buy (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid?
You can request a quote for (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2e)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.