2-(对丁氨基苯基)乙酸
TL;DR: 2-(对丁氨基苯基)乙酸 (CAS 39718-79-1) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(对丁氨基苯基)乙酸
2-[4-(butylamino)phenyl]acetic acid
Also Known As: (4-Butylaminophenyl)acetic acid, 4-(Butylamino)benzeneacetic acid, Acide butylamino-4 phenylacetique, 2-[4-(butylamino)phenyl]acetic acid, Benzeneacetic acid, 4-(butylamino)-
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 39718-79-1 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)CC(=O)O |
| InChIKey | PVFUUYALLTVJOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(对丁氨基苯基)乙酸 (CAS 39718-79-1), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 2-[4-(butylamino)phenyl]acetic acid.
Chemical Property Profile of 2-(对丁氨基苯基)乙酸
Property Insights of 2-(对丁氨基苯基)乙酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(对丁氨基苯基)乙酸. With a topological polar surface area (TPSA) of 49.3 Ų, 2-(对丁氨基苯基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(对丁氨基苯基)乙酸 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 2-(对丁氨基苯基)乙酸?
The CAS number of 2-(对丁氨基苯基)乙酸 is 39718-79-1.
What is the molecular formula of 2-(对丁氨基苯基)乙酸?
The molecular formula of 2-(对丁氨基苯基)乙酸 is C12H17NO2.
What is the molecular weight of 2-(对丁氨基苯基)乙酸?
The molecular weight of 2-(对丁氨基苯基)乙酸 is 207.13 g/mol.
Where can I buy 2-(对丁氨基苯基)乙酸?
You can request a quote for 2-(对丁氨基苯基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(对丁氨基苯基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(对丁氨基苯基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.