RefChem:331248
TL;DR: RefChem:331248 (CAS 71548-90-8) is a chemical compound with molecular formula C24H27ClN2O3 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate;pyridin-3-ylmethylazanium
Also Known As: Sgd 171-75, (+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid 3-pyridinylmethylamine, Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, (+-), compd. with 3-pyridinemethanamine (1:1), 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate;pyridin-3-ylmethylazanium, 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate; pyridin-3-ylmethylazanium
| Molecular Formula | C24H27ClN2O3 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 3.05 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.17102 |
| Heavy Atoms | 30 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 71548-90-8 |
|---|---|
| SMILES | CCC(C)(C(=O)[O-])OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.C1=CC(=CN=C1)C[NH3+] |
| InChIKey | IHILHAQLHUINAV-UHFFFAOYSA-N |
Product Overview
RefChem:331248 (CAS 71548-90-8), with molecular formula C24H27ClN2O3 and molecular weight 426.17 g/mol. IUPAC: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate;pyridin-3-ylmethylazanium.
Chemical Property Profile of RefChem:331248
Property Insights of RefChem:331248
The XLogP value of 3.05 indicates that RefChem:331248 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331248. Following Lipinski's Rule of Five, RefChem:331248 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 RefChem:331248?
The CAS number of RefChem:331248 is 71548-90-8.
What is the molecular formula of RefChem:331248?
The molecular formula of RefChem:331248 is C24H27ClN2O3.
What is the molecular weight of RefChem:331248?
The molecular weight of RefChem:331248 is 426.17 g/mol.
Where can I buy RefChem:331248?
You can request a quote for RefChem:331248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331248?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.