Einecs 225-028-2
TL;DR: Einecs 225-028-2 (CAS 4618-47-7) is a chemical compound with molecular formula C26H29NO6 and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)-3-ethylphenyl]-2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylacetic acid
Also Known As: EINECS 225-028-2, Phenylglycolic acid, compound with 2-(dimethylamino)ethyl-alpha-hydroxy-alpha-phenylbenzeneacetate (1:1), Benzilic acid, compd. with 2-(dimethylamino)ethyl benzilate (1:1), [2-(Dimethylamino)-3-ethylphenyl](hydroxy)(phenyl)acetic acid--hydroxy(phenyl)acetic acid (1/1), [2-(Dimethylamino)-3-ethylphenyl](hydroxy)phenylacetic acid--hydroxy(phenyl)acetic acid (1/1)
| Molecular Formula | C26H29NO6 |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 3.4401 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.1995 |
| Heavy Atoms | 33 |
| Complexity | 1068.6549 |
Chemical Identifiers
| CAS Number | 4618-47-7 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)C(C2=CC=CC=C2)(C(=O)O)O)N(C)C.C1=CC=C(C=C1)C(C(=O)O)O |
Product Overview
Einecs 225-028-2 (CAS 4618-47-7), with molecular formula C26H29NO6 and molecular weight 451.20 g/mol. IUPAC: 2-[2-(dimethylamino)-3-ethylphenyl]-2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylacetic acid.
Chemical Property Profile of Einecs 225-028-2
Property Insights of Einecs 225-028-2
The XLogP value of 3.4401 indicates that Einecs 225-028-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 225-028-2. Following Lipinski's Rule of Five, Einecs 225-028-2 has 4 hydrogen bond donor(s) and 5 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 225-028-2?
The CAS number of Einecs 225-028-2 is 4618-47-7.
What is the molecular formula of Einecs 225-028-2?
The molecular formula of Einecs 225-028-2 is C26H29NO6.
What is the molecular weight of Einecs 225-028-2?
The molecular weight of Einecs 225-028-2 is 451.20 g/mol.
Where can I buy Einecs 225-028-2?
You can request a quote for Einecs 225-028-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 225-028-2?
Yes, KEHONG BIO provides custom synthesis services for Einecs 225-028-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.