Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-
TL;DR: Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo- (CAS 99414-57-0) is a chemical compound with molecular formula C15H19ClO4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chloro-4-propan-2-yloxyphenyl)-3-methyl-5-oxopentanoic acid
Also Known As: Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-, 5-(3-chloro-4-propan-2-yloxyphenyl)-3-methyl-5-oxopentanoic acid, 5-[3-chloro-4-(propan-2-yloxy)phenyl]-3-methyl-5-oxopentanoic acid, 5-(3-chloro-4-propan-2-yloxy-phenyl)-3-methyl-5-oxo-pentanoic Acid, 5-{3-Chloro-4-[(propan-2-yl)oxy]phenyl}-3-methyl-5-oxopentanoic acid
| Molecular Formula | C15H19ClO4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.0972 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 99414-57-0 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)C(=O)CC(C)CC(=O)O)Cl |
| InChIKey | VZQNMVPIIHLEAB-UHFFFAOYSA-N |
Product Overview
Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo- (CAS 99414-57-0), with molecular formula C15H19ClO4 and molecular weight 298.10 g/mol. IUPAC: 5-(3-chloro-4-propan-2-yloxyphenyl)-3-methyl-5-oxopentanoic acid.
Chemical Property Profile of Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-
Property Insights of Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-
The XLogP value of 3.4 indicates that Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-. Following Lipinski's Rule of Five, Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-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 Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-?
The CAS number of Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo- is 99414-57-0.
What is the molecular formula of Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-?
The molecular formula of Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo- is C15H19ClO4.
What is the molecular weight of Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-?
The molecular weight of Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo- is 298.10 g/mol.
Where can I buy Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-?
You can request a quote for Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.