RefChem:1062053
TL;DR: RefChem:1062053 (CAS 55798-63-5) is a chemical compound with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ylethyl 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenylacetate;hydrochloride
Also Known As: 9-FLUOROSTEARIC ACID, 2-(2,5-Dimethyl-1-pyrrolidinyl)ethyl benzilate hydrochloride, Benzilic acid, 2-(2,5-dimethyl-1-pyrrolidinyl)ethyl ester, hydrochloride, 2-(Pyrrolidin-1-yl)ethyl (2,5-dimethylphenyl)(hydroxy)phenylacetate--hydrogen chloride (1/1), 2-(pyrrolidin-1-yl)ethyl(2,5-dimethylphenyl)(hydroxy)phenylacetate hydrochloride(1:1)
| Molecular Formula | C22H28ClNO3 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.17578 |
| Heavy Atoms | 27 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 55798-63-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2)(C(=O)OCCN3CCCC3)O.Cl |
| InChIKey | SWGIJOUUVMRVFT-UHFFFAOYSA-N |
Product Overview
RefChem:1062053 (CAS 55798-63-5), with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol. IUPAC: 2-pyrrolidin-1-ylethyl 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenylacetate;hydrochloride.
Chemical Property Profile of RefChem:1062053
Property Insights of RefChem:1062053
The XLogP value of 3.6 indicates that RefChem:1062053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1062053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062053 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 RefChem:1062053?
The CAS number of RefChem:1062053 is 55798-63-5.
What is the molecular formula of RefChem:1062053?
The molecular formula of RefChem:1062053 is C22H28ClNO3.
What is the molecular weight of RefChem:1062053?
The molecular weight of RefChem:1062053 is 389.18 g/mol.
Where can I buy RefChem:1062053?
You can request a quote for RefChem:1062053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062053?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.