Valerate
TL;DR: Valerate (CAS 51630-33-2) is a chemical compound with molecular formula C24H23ClO3 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate
Also Known As: Valerate, Pyrethrin, SQ 5439, (3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
| Molecular Formula | C24H23ClO3 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 6.6153 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.13358 |
| Heavy Atoms | 28 |
| Complexity | 904.6481 |
Chemical Identifiers
| CAS Number | 51630-33-2 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
Product Overview
Valerate (CAS 51630-33-2), with molecular formula C24H23ClO3 and molecular weight 394.13 g/mol. IUPAC: (3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate.
Chemical Property Profile of Valerate
Property Insights of Valerate
The XLogP value of 6.6153 indicates that Valerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valerate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Valerate?
The CAS number of Valerate is 51630-33-2.
What is the molecular formula of Valerate?
The molecular formula of Valerate is C24H23ClO3.
What is the molecular weight of Valerate?
The molecular weight of Valerate is 394.13 g/mol.
Where can I buy Valerate?
You can request a quote for Valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valerate?
Yes, KEHONG BIO provides custom synthesis services for Valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.