2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline
TL;DR: 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline (CAS 68720-68-3) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate
Also Known As: 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline, methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate, 2-(Methylimino)-3(2H)-benzothiazolepropanoic acid methyl ester, 3-(2-Methylimino-benzothiazol-3-yl)-propionic acid methyl ester, Methyl 3-((2E)-2-[(E)-methylimino]-1,3-benzothiazol-3(2H)-yl)propanoate
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 68720-68-3 |
|---|---|
| SMILES | CN=C1N(C2=CC=CC=C2S1)CCC(=O)OC |
| InChIKey | ARNZMTRRZQYFFZ-UHFFFAOYSA-N |
Product Overview
2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline (CAS 68720-68-3), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate.
Chemical Property Profile of 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline
Property Insights of 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline. Following Lipinski's Rule of Five, 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline has 0 hydrogen bond donor(s) and 4 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 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline?
The CAS number of 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline is 68720-68-3.
What is the molecular formula of 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline?
The molecular formula of 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline is C12H14N2O2S.
What is the molecular weight of 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline?
The molecular weight of 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline is 250.08 g/mol.
Where can I buy 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline?
You can request a quote for 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.