3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid
TL;DR: 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid (CAS 399005-04-0) is a chemical compound with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoic acid
Also Known As: IFLab1_004061, 3-(acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid, 3-(acetylthio)-3-(benzo[d]thiazol-2-yl)propanoic acid, 3-acetylthio-3-benzothiazol-2-ylpropanoic acid, F0848-0234
| Molecular Formula | C12H11NO3S2 |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 3.0918 |
| Topological Polar Surface Area | 67.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.01804 |
| Heavy Atoms | 18 |
| Complexity | 544.77496 |
Chemical Identifiers
| CAS Number | 399005-04-0 |
|---|---|
| SMILES | CC(=O)SC(CC(=O)O)C1=NC2=CC=CC=C2S1 |
Product Overview
3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid (CAS 399005-04-0), with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol. IUPAC: 3-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoic acid.
Chemical Property Profile of 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid
Property Insights of 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid
The XLogP value of 3.0918 indicates that 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid has 1 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 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid?
The CAS number of 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid is 399005-04-0.
What is the molecular formula of 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid?
The molecular formula of 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid is C12H11NO3S2.
What is the molecular weight of 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid?
The molecular weight of 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid is 281.02 g/mol.
Where can I buy 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid?
You can request a quote for 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetylsulfanyl)-3-(1,3-benzothiazol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.