Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-
TL;DR: Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo- (CAS 74362-74-6) is a chemical compound with molecular formula C13H15ClO4 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
Also Known As: Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-, 4-(3-chloro-4-propan-2-yloxyphenyl)-4-oxobutanoic acid, 4-(3-Chloro-4-isopropyloxyphenyl)-4-oxobutyric acid, BENZENEBUTANOIC ACID,3-CHLORO-4-(1-METHYLETHOXY)-G-OXO-, 4-[3-chloro-4-(propan-2-yloxy)phenyl]-4-oxobutanoic acid
| Molecular Formula | C13H15ClO4 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.0659 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 74362-74-6 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl |
| InChIKey | PICSNMHKVXBHQV-UHFFFAOYSA-N |
Product Overview
Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo- (CAS 74362-74-6), with molecular formula C13H15ClO4 and molecular weight 270.07 g/mol. IUPAC: 4-(3-chloro-4-propan-2-yloxyphenyl)-4-oxobutanoic acid.
Chemical Property Profile of Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-
Property Insights of Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-. Following Lipinski's Rule of Five, Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo- has 1 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 Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-?
The CAS number of Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo- is 74362-74-6.
What is the molecular formula of Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-?
The molecular formula of Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo- is C13H15ClO4.
What is the molecular weight of Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-?
The molecular weight of Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo- is 270.07 g/mol.
Where can I buy Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-?
You can request a quote for Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, 3-chloro-4-(1-methylethoxy)-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.