Acetic acid, 2-(p-(allylamino)phenyl)-
TL;DR: Acetic acid, 2-(p-(allylamino)phenyl)- (CAS 39718-71-3) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(prop-2-enylamino)phenyl]acetic acid
Also Known As: (4-Allylaminophenyl)acetic acid, Acide allylamino-4 phenylacetique, p-(allylamino)phenylacetic acid, 4-(allylamino)phenylacetic acid, ACETIC ACID, 2-(p-(ALLYLAMINO)PHENYL)-
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 39718-71-3 |
|---|---|
| SMILES | C=CCNC1=CC=C(C=C1)CC(=O)O |
| InChIKey | ZYJSCNHWBVDMDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-(p-(allylamino)phenyl)- (CAS 39718-71-3), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 2-[4-(prop-2-enylamino)phenyl]acetic acid.
Chemical Property Profile of Acetic acid, 2-(p-(allylamino)phenyl)-
Property Insights of Acetic acid, 2-(p-(allylamino)phenyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(p-(allylamino)phenyl)-. With a topological polar surface area (TPSA) of 49.3 Ų, Acetic acid, 2-(p-(allylamino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(p-(allylamino)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-(allylamino)phenyl)-?
The CAS number of Acetic acid, 2-(p-(allylamino)phenyl)- is 39718-71-3.
What is the molecular formula of Acetic acid, 2-(p-(allylamino)phenyl)-?
The molecular formula of Acetic acid, 2-(p-(allylamino)phenyl)- is C11H13NO2.
What is the molecular weight of Acetic acid, 2-(p-(allylamino)phenyl)-?
The molecular weight of Acetic acid, 2-(p-(allylamino)phenyl)- is 191.09 g/mol.
Where can I buy Acetic acid, 2-(p-(allylamino)phenyl)-?
You can request a quote for Acetic acid, 2-(p-(allylamino)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-(allylamino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(p-(allylamino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.