(2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid
TL;DR: (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid (CAS 790271-11-3) is a chemical compound with molecular formula C14H17ClO4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid
Also Known As: (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid, (2E)-3-[3-CHLORO-5-METHOXY-4-(2-METHYLPROPOXY)PHENYL]PROP-2-ENOIC ACID, 3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic Acid, 3-(3-Chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid, (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid
| Molecular Formula | C14H17ClO4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 3.4812 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.08154 |
| Heavy Atoms | 19 |
| Complexity | 480.57947 |
Chemical Identifiers
| CAS Number | 790271-11-3 |
|---|---|
| SMILES | CC(C)COC1=C(C=C(C=C1Cl)/C=C/C(=O)O)OC |
Product Overview
(2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid (CAS 790271-11-3), with molecular formula C14H17ClO4 and molecular weight 284.08 g/mol. IUPAC: (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid
Property Insights of (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid
The XLogP value of 3.4812 indicates that (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(3-chloro-4-isobutoxy-5-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-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid?
The CAS number of (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid is 790271-11-3.
What is the molecular formula of (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid?
The molecular formula of (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid is C14H17ClO4.
What is the molecular weight of (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid?
The molecular weight of (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid is 284.08 g/mol.
Where can I buy (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid?
You can request a quote for (2E)-3-(3-chloro-4-isobutoxy-5-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-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.