3-(4-Butoxy-3-iodophenyl)acrylic acid
TL;DR: 3-(4-Butoxy-3-iodophenyl)acrylic acid (CAS 888475-65-8) is a chemical compound with molecular formula C13H15IO3 and molecular weight 346.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-butoxy-3-iodophenyl)prop-2-enoic acid
Also Known As: 3-(4-butoxy-3-iodophenyl)acrylic acid, (E)-3-(4-butoxy-3-iodophenyl)prop-2-enoic acid, AA-516/30054002
| Molecular Formula | C13H15IO3 |
|---|---|
| Molecular Weight | 346.01 g/mol |
| LogP | 3.5679 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.0066 |
| Heavy Atoms | 17 |
| Complexity | 413.12564 |
Chemical Identifiers
| CAS Number | 888475-65-8 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C=C/C(=O)O)I |
Product Overview
3-(4-Butoxy-3-iodophenyl)acrylic acid (CAS 888475-65-8), with molecular formula C13H15IO3 and molecular weight 346.01 g/mol. IUPAC: (E)-3-(4-butoxy-3-iodophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-Butoxy-3-iodophenyl)acrylic acid
Property Insights of 3-(4-Butoxy-3-iodophenyl)acrylic acid
The XLogP value of 3.5679 indicates that 3-(4-Butoxy-3-iodophenyl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-(4-Butoxy-3-iodophenyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Butoxy-3-iodophenyl)acrylic acid has 1 hydrogen bond donor(s) and 2 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 3-(4-Butoxy-3-iodophenyl)acrylic acid?
The CAS number of 3-(4-Butoxy-3-iodophenyl)acrylic acid is 888475-65-8.
What is the molecular formula of 3-(4-Butoxy-3-iodophenyl)acrylic acid?
The molecular formula of 3-(4-Butoxy-3-iodophenyl)acrylic acid is C13H15IO3.
What is the molecular weight of 3-(4-Butoxy-3-iodophenyl)acrylic acid?
The molecular weight of 3-(4-Butoxy-3-iodophenyl)acrylic acid is 346.01 g/mol.
Where can I buy 3-(4-Butoxy-3-iodophenyl)acrylic acid?
You can request a quote for 3-(4-Butoxy-3-iodophenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Butoxy-3-iodophenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Butoxy-3-iodophenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.