Fmoc-beta-(benzothiazol-2-YL)-L-alanine
TL;DR: Fmoc-beta-(benzothiazol-2-YL)-L-alanine (CAS 959583-56-3) is a chemical compound with molecular formula C25H20N2O4S and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Also Known As: Fmoc-L-Ala(Bth)-OH, FMOC-BETA-(BENZOTHIAZOL-2-YL)-L-ALANINE, Fmoc-Ala(2-Bztz)-OH, 6915AH, (2S)-3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
| Molecular Formula | C25H20N2O4S |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 4.8307 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.11438 |
| Heavy Atoms | 32 |
| Complexity | 1237.5581 |
Chemical Identifiers
| CAS Number | 959583-56-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=NC5=CC=CC=C5S4)C(=O)O |
Product Overview
Fmoc-beta-(benzothiazol-2-YL)-L-alanine (CAS 959583-56-3), with molecular formula C25H20N2O4S and molecular weight 444.11 g/mol. IUPAC: (2S)-3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
Chemical Property Profile of Fmoc-beta-(benzothiazol-2-YL)-L-alanine
Property Insights of Fmoc-beta-(benzothiazol-2-YL)-L-alanine
The XLogP value of 4.8307 indicates that Fmoc-beta-(benzothiazol-2-YL)-L-alanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Fmoc-beta-(benzothiazol-2-YL)-L-alanine. Following Lipinski's Rule of Five, Fmoc-beta-(benzothiazol-2-YL)-L-alanine has 2 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 Fmoc-beta-(benzothiazol-2-YL)-L-alanine?
The CAS number of Fmoc-beta-(benzothiazol-2-YL)-L-alanine is 959583-56-3.
What is the molecular formula of Fmoc-beta-(benzothiazol-2-YL)-L-alanine?
The molecular formula of Fmoc-beta-(benzothiazol-2-YL)-L-alanine is C25H20N2O4S.
What is the molecular weight of Fmoc-beta-(benzothiazol-2-YL)-L-alanine?
The molecular weight of Fmoc-beta-(benzothiazol-2-YL)-L-alanine is 444.11 g/mol.
Where can I buy Fmoc-beta-(benzothiazol-2-YL)-L-alanine?
You can request a quote for Fmoc-beta-(benzothiazol-2-YL)-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fmoc-beta-(benzothiazol-2-YL)-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for Fmoc-beta-(benzothiazol-2-YL)-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.