(Butylamino)(phenyl)acetic acid
TL;DR: (Butylamino)(phenyl)acetic acid (CAS 6331-69-7) 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-(butylamino)-2-phenylacetic acid
Also Known As: (Butylamino)(phenyl)acetic acid, N-Butyl-2-phenylglycine, 2-(butylamino)-2-phenylacetic acid, butylamino-phenyl-acetic acid, 2-butylamino-2-phenylacetic acid
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 0.1 |
| 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 | 188.0 |
Chemical Identifiers
| CAS Number | 6331-69-7 |
|---|---|
| SMILES | CCCCNC(C1=CC=CC=C1)C(=O)O |
| InChIKey | HHBSIIRCNFRFSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Butylamino)(phenyl)acetic acid (CAS 6331-69-7), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 2-(butylamino)-2-phenylacetic acid.
Chemical Property Profile of (Butylamino)(phenyl)acetic acid
Property Insights of (Butylamino)(phenyl)acetic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Butylamino)(phenyl)acetic acid. With a topological polar surface area (TPSA) of 49.3 Ų, (Butylamino)(phenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Butylamino)(phenyl)acetic acid 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 (Butylamino)(phenyl)acetic acid?
The CAS number of (Butylamino)(phenyl)acetic acid is 6331-69-7.
What is the molecular formula of (Butylamino)(phenyl)acetic acid?
The molecular formula of (Butylamino)(phenyl)acetic acid is C12H17NO2.
What is the molecular weight of (Butylamino)(phenyl)acetic acid?
The molecular weight of (Butylamino)(phenyl)acetic acid is 207.13 g/mol.
Where can I buy (Butylamino)(phenyl)acetic acid?
You can request a quote for (Butylamino)(phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Butylamino)(phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (Butylamino)(phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.