(E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid
TL;DR: (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid (CAS 799810-84-7) is a chemical compound with molecular formula C16H20ClNO5 and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-acetamido-3-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
Also Known As: (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid, (2E)-2-(acetylamino)-3-[3-chloro-5-ethoxy-4-(propan-2-yloxy)phenyl]prop-2-enoic acid, (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid, 2-acetamido-3-(3-chloro-5-ethoxy-4-propan-2-yloxy-phenyl)prop-2-enoic Acid
| Molecular Formula | C16H20ClNO5 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 3.0875 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.103 |
| Heavy Atoms | 23 |
| Complexity | 625.1418 |
Chemical Identifiers
| CAS Number | 799810-84-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Cl)OC(C)C |
Product Overview
(E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid (CAS 799810-84-7), with molecular formula C16H20ClNO5 and molecular weight 341.10 g/mol. IUPAC: (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid.
Chemical Property Profile of (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid
Property Insights of (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid
The XLogP value of 3.0875 indicates that (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid. Following Lipinski's Rule of Five, (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid has 2 hydrogen bond donor(s) and 4 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 (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid?
The CAS number of (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid is 799810-84-7.
What is the molecular formula of (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid?
The molecular formula of (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid is C16H20ClNO5.
What is the molecular weight of (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid?
The molecular weight of (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid is 341.10 g/mol.
Where can I buy (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid?
You can request a quote for (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-isopropoxyphenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.