Acetyldehydro-3-(2-thienyl)alanyltyrosine
TL;DR: Acetyldehydro-3-(2-thienyl)alanyltyrosine (CAS 68762-78-7) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(Z)-2-acetamido-3-thiophen-2-ylprop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: Acetyldehydro-3-(2-thienyl)-ala-tyr, Acetyldehydro-3-(2-thienyl)alanyltyrosine, N-(2-Acetylamino-3-(2-thienyl)-2-propenoyl)tyrosine, L-Tyrosine, N-(N-acetyl-2,3-didehydro-3-(2-thienyl)alanyl)-, (2S)-2-[[(Z)-2-acetamido-3-thiophen-2-ylprop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 1.7428 |
| Topological Polar Surface Area | 115.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 812.6168 |
Chemical Identifiers
| CAS Number | 68762-78-7 |
|---|---|
| SMILES | CC(=O)N/C(=C\C1=CC=CS1)/C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O |
Product Overview
Acetyldehydro-3-(2-thienyl)alanyltyrosine (CAS 68762-78-7), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: (2S)-2-[[(Z)-2-acetamido-3-thiophen-2-ylprop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of Acetyldehydro-3-(2-thienyl)alanyltyrosine
Property Insights of Acetyldehydro-3-(2-thienyl)alanyltyrosine
The XLogP value of 1.7428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyldehydro-3-(2-thienyl)alanyltyrosine. The TPSA of 115.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyldehydro-3-(2-thienyl)alanyltyrosine. Following Lipinski's Rule of Five, Acetyldehydro-3-(2-thienyl)alanyltyrosine has 4 hydrogen bond donor(s) and 5 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 Acetyldehydro-3-(2-thienyl)alanyltyrosine?
The CAS number of Acetyldehydro-3-(2-thienyl)alanyltyrosine is 68762-78-7.
What is the molecular formula of Acetyldehydro-3-(2-thienyl)alanyltyrosine?
The molecular formula of Acetyldehydro-3-(2-thienyl)alanyltyrosine is C18H18N2O5S.
What is the molecular weight of Acetyldehydro-3-(2-thienyl)alanyltyrosine?
The molecular weight of Acetyldehydro-3-(2-thienyl)alanyltyrosine is 374.09 g/mol.
Where can I buy Acetyldehydro-3-(2-thienyl)alanyltyrosine?
You can request a quote for Acetyldehydro-3-(2-thienyl)alanyltyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyldehydro-3-(2-thienyl)alanyltyrosine?
Yes, KEHONG BIO provides custom synthesis services for Acetyldehydro-3-(2-thienyl)alanyltyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.