(2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid
TL;DR: (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid (CAS 158696-71-0) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoic acid
Also Known As: ICCB5_000258, (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid, (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoicacid, (2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoic acid, 839-414-9
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 1.3042 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 413.50436 |
Chemical Identifiers
| CAS Number | 158696-71-0 |
|---|---|
| SMILES | CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O |
Product Overview
(2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid (CAS 158696-71-0), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: (2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid
Property Insights of (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid
The XLogP value of 1.3042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid has 3 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 (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid?
The CAS number of (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid is 158696-71-0.
What is the molecular formula of (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid?
The molecular formula of (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid is C13H17NO4.
What is the molecular weight of (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid?
The molecular weight of (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid is 251.12 g/mol.
Where can I buy (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid?
You can request a quote for (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-butanamido-3-(4-hydroxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.