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 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.2697 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 476.4088 |
Chemical Identifiers
| CAS Number | 1008251-25-9 |
|---|---|
| SMILES | CC(C(=O)OC)NC1=NC2=CC=CC=C2S1 |
Product Overview
Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate (CAS 1008251-25-9), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: methyl 2-(1,3-benzothiazol-2-ylamino)propanoate.
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 2.2697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate. With a topological polar surface area (TPSA) of 51.22 Ų, Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 236.06 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,3-benzothiazol-2-ylamino)propanoate?
Yes, KEHONG BIO 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.