Acetic acid, 2-(p-(2-propynylamino)phenyl)-
TL;DR: Acetic acid, 2-(p-(2-propynylamino)phenyl)- (CAS 39718-83-7) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(prop-2-ynylamino)phenyl]acetic acid
Also Known As: (4-Propargylaminophenyl)acetic acid, 4-(2-Propynylamino)benzeneacetic acid, Acide propargylamino-4 phenylacetique, Benzeneacetic acid, 4-(2-propynylamino)-, Acide propargylamino-4 phenylacetique [French]
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 39718-83-7 |
|---|---|
| SMILES | C#CCNC1=CC=C(C=C1)CC(=O)O |
| InChIKey | UNQMRPKYKPITJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-(p-(2-propynylamino)phenyl)- (CAS 39718-83-7), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 2-[4-(prop-2-ynylamino)phenyl]acetic acid.
Chemical Property Profile of Acetic acid, 2-(p-(2-propynylamino)phenyl)-
Property Insights of Acetic acid, 2-(p-(2-propynylamino)phenyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(p-(2-propynylamino)phenyl)-. With a topological polar surface area (TPSA) of 49.3 Ų, Acetic acid, 2-(p-(2-propynylamino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(p-(2-propynylamino)phenyl)- has 2 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 Acetic acid, 2-(p-(2-propynylamino)phenyl)-?
The CAS number of Acetic acid, 2-(p-(2-propynylamino)phenyl)- is 39718-83-7.
What is the molecular formula of Acetic acid, 2-(p-(2-propynylamino)phenyl)-?
The molecular formula of Acetic acid, 2-(p-(2-propynylamino)phenyl)- is C11H11NO2.
What is the molecular weight of Acetic acid, 2-(p-(2-propynylamino)phenyl)-?
The molecular weight of Acetic acid, 2-(p-(2-propynylamino)phenyl)- is 189.08 g/mol.
Where can I buy Acetic acid, 2-(p-(2-propynylamino)phenyl)-?
You can request a quote for Acetic acid, 2-(p-(2-propynylamino)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(p-(2-propynylamino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(p-(2-propynylamino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.