Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride
TL;DR: Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride (CAS 2020-28-2) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 2-pyrrolidin-1-ylacetate;hydrochloride
Also Known As: 2,6-Xylyl pyrrolidineacetate hydrochloride, C 3220, Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride, 2,6-dimethylphenyl pyrrolidin-1-ylacetate hydrochloride(1:1), (2,6-dimethylphenyl) 2-pyrrolidin-1-ylacetate hydrochloride
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.73 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 2020-28-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)CN2CCCC2.Cl |
| InChIKey | HOHYOBBELNRSEV-UHFFFAOYSA-N |
Product Overview
Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride (CAS 2020-28-2), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: (2,6-dimethylphenyl) 2-pyrrolidin-1-ylacetate;hydrochloride.
Chemical Property Profile of Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride
Property Insights of Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride
The XLogP value of 2.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride?
The CAS number of Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride is 2020-28-2.
What is the molecular formula of Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride?
The molecular formula of Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride is C14H20ClNO2.
What is the molecular weight of Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride?
The molecular weight of Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride is 269.12 g/mol.
Where can I buy Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride?
You can request a quote for Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidineacetic acid, 2,6-xylyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.