Einecs 248-841-4
TL;DR: Einecs 248-841-4 (CAS 28100-38-1) is a chemical compound with molecular formula C16H26ClNO3 and molecular weight 315.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenoxy)-2-methylpropanoic acid;N-propan-2-ylpropan-2-amine
Also Known As: Diisopropylammonium 2-(p-chlorophenoxy)-2-methylpropionate, 3-(4-chlorophenoxy)-2-methylpropanoic acid- n-(propan-2-yl)propan-2-amine(1:1), 3-(4-chlorophenoxy)-2-methylpropanoic acid; N-propan-2-ylpropan-2-amine, 3-(4-Chlorophenoxy)-2-methylpropanoic acid--N-(propan-2-yl)propan-2-amine (1/1), EINECS 248-841-4
| Molecular Formula | C16H26ClNO3 |
|---|---|
| Molecular Weight | 315.16 g/mol |
| LogP | 3.83 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.16013 |
| Heavy Atoms | 21 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 28100-38-1 |
|---|---|
| SMILES | CC(C)NC(C)C.CC(COC1=CC=C(C=C1)Cl)C(=O)O |
| InChIKey | AXNFMWSSHGNJBP-UHFFFAOYSA-N |
Product Overview
Einecs 248-841-4 (CAS 28100-38-1), with molecular formula C16H26ClNO3 and molecular weight 315.16 g/mol. IUPAC: 3-(4-chlorophenoxy)-2-methylpropanoic acid;N-propan-2-ylpropan-2-amine.
Chemical Property Profile of Einecs 248-841-4
Property Insights of Einecs 248-841-4
The XLogP value of 3.83 indicates that Einecs 248-841-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Einecs 248-841-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 248-841-4 has 2 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 Einecs 248-841-4?
The CAS number of Einecs 248-841-4 is 28100-38-1.
What is the molecular formula of Einecs 248-841-4?
The molecular formula of Einecs 248-841-4 is C16H26ClNO3.
What is the molecular weight of Einecs 248-841-4?
The molecular weight of Einecs 248-841-4 is 315.16 g/mol.
Where can I buy Einecs 248-841-4?
You can request a quote for Einecs 248-841-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 248-841-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 248-841-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.