Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate
TL;DR: Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate (CAS 1008251-25-9) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(1,3-benzothiazol-2-ylamino)propanoate
Also Known As: methyl 2-(1,3-benzothiazol-2-ylamino)propanoate, methyl 2-[(1,3-benzothiazol-2-yl)amino]propanoate
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CC(C(=O)OC)NC1=NC2=CC=CC=C2S1 |
| InChIKey | VQAJTLVVHHOXGQ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate
Property Insights of Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate
The XLogP value of 3.0 indicates that Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate. Following Lipinski's Rule of Five, Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate 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
What is the CAS number of Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate?
The CAS number of Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate is 1008251-25-9.
What is the molecular formula of Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate?
The molecular formula of Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate is C11H12N2O2S.
What is the molecular weight of Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate?
The molecular weight of Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate is 236.06195 g/mol.
Where can I buy Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate?
You can request a quote for Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.