Isopropyl 2-(4-chloro-2-methylphenoxy)propionate
TL;DR: Isopropyl 2-(4-chloro-2-methylphenoxy)propionate (CAS 97635-47-7) is a chemical compound with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(4-chloro-2-methylphenoxy)propanoate
Also Known As: EINECS 303-145-0, EINECS 307-408-0, Isopropyl 2-(4-chloro-2-methylphenoxy)propionate, propan-2-yl 2-(4-chloro-2-methylphenoxy)propanoate, Isopropyl (1)-2-(4-chloro-2-methylphenoxy)propionate
| Molecular Formula | C13H17ClO3 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 3.36732 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0866 |
| Heavy Atoms | 17 |
| Complexity | 401.6511 |
Chemical Identifiers
| CAS Number | 97635-47-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OC(C)C |
Product Overview
Isopropyl 2-(4-chloro-2-methylphenoxy)propionate (CAS 97635-47-7), with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol. IUPAC: propan-2-yl 2-(4-chloro-2-methylphenoxy)propanoate.
Chemical Property Profile of Isopropyl 2-(4-chloro-2-methylphenoxy)propionate
Property Insights of Isopropyl 2-(4-chloro-2-methylphenoxy)propionate
The XLogP value of 3.36732 indicates that Isopropyl 2-(4-chloro-2-methylphenoxy)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Isopropyl 2-(4-chloro-2-methylphenoxy)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-(4-chloro-2-methylphenoxy)propionate has 0 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 Isopropyl 2-(4-chloro-2-methylphenoxy)propionate?
The CAS number of Isopropyl 2-(4-chloro-2-methylphenoxy)propionate is 97635-47-7.
What is the molecular formula of Isopropyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular formula of Isopropyl 2-(4-chloro-2-methylphenoxy)propionate is C13H17ClO3.
What is the molecular weight of Isopropyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular weight of Isopropyl 2-(4-chloro-2-methylphenoxy)propionate is 256.09 g/mol.
Where can I buy Isopropyl 2-(4-chloro-2-methylphenoxy)propionate?
You can request a quote for Isopropyl 2-(4-chloro-2-methylphenoxy)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-(4-chloro-2-methylphenoxy)propionate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-(4-chloro-2-methylphenoxy)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.