4-(4-氯-3-甲基苯氧基)丁酸
TL;DR: 4-(4-氯-3-甲基苯氧基)丁酸 (CAS 23609-99-6) 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.
4-(4-氯-3-甲基苯氧基)丁酸
4-(4-chloro-3-methylphenoxy)butanoic acid
Also Known As: 4-(4-chloro-3-methylphenoxy)butanoic acid, 4-(4-Chloro-3-methyl-phenoxy)-butyric acid, 4-(4-Chloro-m-tolyloxy)-butyric acid, 4-((4-chloro-m-tolyl)oxy)-butyricaci, Butyric acid, 4-(4-chloro-m-tolyloxy)-
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 23609-99-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCCCC(=O)O)Cl |
| InChIKey | PHYYXFKRVUCUBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-氯-3-甲基苯氧基)丁酸 (CAS 23609-99-6), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: 4-(4-chloro-3-methylphenoxy)butanoic acid.
Chemical Property Profile of 4-(4-氯-3-甲基苯氧基)丁酸
Property Insights of 4-(4-氯-3-甲基苯氧基)丁酸
The XLogP value of 3.6 indicates that 4-(4-氯-间甲苯氧基)丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(4-氯-3-甲基苯氧基)丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-氯-间甲苯氧基)丁酸 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-(4-氯-间甲苯氧基)丁酸?
The CAS number of 4-(4-氯-间甲苯氧基)丁酸 is 23609-99-6.
What is the molecular formula of 4-(4-氯-间甲苯氧基)丁酸?
The molecular formula of 4-(4-氯-间甲苯氧基)丁酸 is C11H13ClO3.
What is the molecular weight of 4-(4-氯-间甲苯氧基)丁酸?
The molecular weight of 4-(4-氯-间甲苯氧基)丁酸 is 228.06 g/mol.
Where can I buy 4-(4-氯-间甲苯氧基)丁酸?
You can request a quote for 4-(4-氯-间甲苯氧基)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-氯-间甲苯氧基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-氯-间甲苯氧基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.