(+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester
TL;DR: (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester (CAS 71548-68-0) is a chemical compound with molecular formula C25H26ClNO3 and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpentanoate
Also Known As: (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester, pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpentanoate, Pentanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 3-pyridinylmethyl ester, (+-)-, pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-m, (Pyridin-3-yl)methyl 2-{4-[(4-chlorophenyl)methyl]phenoxy}-2-methylpentanoate
| Molecular Formula | C25H26ClNO3 |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 6.0068 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.16013 |
| Heavy Atoms | 30 |
| Complexity | 942.39246 |
Chemical Identifiers
| CAS Number | 71548-68-0 |
|---|---|
| SMILES | CCCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl |
Product Overview
(+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester (CAS 71548-68-0), with molecular formula C25H26ClNO3 and molecular weight 423.16 g/mol. IUPAC: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpentanoate.
Chemical Property Profile of (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester
Property Insights of (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester
The XLogP value of 6.0068 indicates that (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester?
The CAS number of (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester is 71548-68-0.
What is the molecular formula of (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester?
The molecular formula of (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester is C25H26ClNO3.
What is the molecular weight of (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester?
The molecular weight of (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester is 423.16 g/mol.
Where can I buy (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester?
You can request a quote for (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.