4-Isopropoxy-3-chlorophenylacetic acid
TL;DR: 4-Isopropoxy-3-chlorophenylacetic acid (CAS 23914-90-1) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
Also Known As: 4-Isopropoxy-3-chlorophenylacetic acid, SALOR-INTL127663-1EA, 2-(3-chloro-4-isopropoxyphenyl)acetic acid, (3-chloro-4-isopropoxyphenyl)acetic acid, 3-Chloro-4-isopropyloxybenzeneacetic acid
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 23914-90-1 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)CC(=O)O)Cl |
| InChIKey | IDIYIZMETAUIPJ-UHFFFAOYSA-N |
Product Overview
4-Isopropoxy-3-chlorophenylacetic acid (CAS 23914-90-1), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: 2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid.
Chemical Property Profile of 4-Isopropoxy-3-chlorophenylacetic acid
Property Insights of 4-Isopropoxy-3-chlorophenylacetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropoxy-3-chlorophenylacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Isopropoxy-3-chlorophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropoxy-3-chlorophenylacetic 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 4-Isopropoxy-3-chlorophenylacetic acid?
The CAS number of 4-Isopropoxy-3-chlorophenylacetic acid is 23914-90-1.
What is the molecular formula of 4-Isopropoxy-3-chlorophenylacetic acid?
The molecular formula of 4-Isopropoxy-3-chlorophenylacetic acid is C11H13ClO3.
What is the molecular weight of 4-Isopropoxy-3-chlorophenylacetic acid?
The molecular weight of 4-Isopropoxy-3-chlorophenylacetic acid is 228.06 g/mol.
Where can I buy 4-Isopropoxy-3-chlorophenylacetic acid?
You can request a quote for 4-Isopropoxy-3-chlorophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropoxy-3-chlorophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropoxy-3-chlorophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.