(S,E)-3-Amino-6-phenylhex-5-enoic acid
TL;DR: (S,E)-3-Amino-6-phenylhex-5-enoic acid (CAS 615560-74-2) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,3S)-3-amino-6-phenylhex-5-enoic acid
Also Known As: (S)-beta-Cinnamyl-beta-alanine, (betaS)-beta-Cinnamyl-beta-alanine, (S)-3-Amino-6-phenylhex-5-enoic acid, (S,E)-3-Amino-6-phenylhex-5-enoic acid, (E,3S)-3-amino-6-phenylhex-5-enoic acid
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.8919 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 332.73517 |
Chemical Identifiers
| CAS Number | 615560-74-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C[C@@H](CC(=O)O)N |
Product Overview
(S,E)-3-Amino-6-phenylhex-5-enoic acid (CAS 615560-74-2), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: (E,3S)-3-amino-6-phenylhex-5-enoic acid.
Chemical Property Profile of (S,E)-3-Amino-6-phenylhex-5-enoic acid
Property Insights of (S,E)-3-Amino-6-phenylhex-5-enoic acid
The XLogP value of 1.8919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S,E)-3-Amino-6-phenylhex-5-enoic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (S,E)-3-Amino-6-phenylhex-5-enoic acid. Following Lipinski's Rule of Five, (S,E)-3-Amino-6-phenylhex-5-enoic acid has 2 hydrogen bond donor(s) and 2 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 (S,E)-3-Amino-6-phenylhex-5-enoic acid?
The CAS number of (S,E)-3-Amino-6-phenylhex-5-enoic acid is 615560-74-2.
What is the molecular formula of (S,E)-3-Amino-6-phenylhex-5-enoic acid?
The molecular formula of (S,E)-3-Amino-6-phenylhex-5-enoic acid is C12H15NO2.
What is the molecular weight of (S,E)-3-Amino-6-phenylhex-5-enoic acid?
The molecular weight of (S,E)-3-Amino-6-phenylhex-5-enoic acid is 205.11 g/mol.
Where can I buy (S,E)-3-Amino-6-phenylhex-5-enoic acid?
You can request a quote for (S,E)-3-Amino-6-phenylhex-5-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S,E)-3-Amino-6-phenylhex-5-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S,E)-3-Amino-6-phenylhex-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.