(6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester
TL;DR: (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester (CAS 207853-76-7) is a chemical compound with molecular formula C12H12N2O3S2 and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetate
Also Known As: (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester, methyl 2-((6-acetamidobenzo[d]thiazol-2-yl)thio)acetate, methyl 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetate, Methyl 2-[[6-(acetylamino)-2-benzothiazolyl]thio]acetate, Methyl [(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetate
| Molecular Formula | C12H12N2O3S2 |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.02893 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 207853-76-7 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC |
| InChIKey | TYXZJDHELRGQTC-UHFFFAOYSA-N |
Product Overview
(6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester (CAS 207853-76-7), with molecular formula C12H12N2O3S2 and molecular weight 296.03 g/mol. IUPAC: methyl 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester
Property Insights of (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester. Following Lipinski's Rule of Five, (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester has 1 hydrogen bond donor(s) and 6 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 (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester?
The CAS number of (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester is 207853-76-7.
What is the molecular formula of (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester?
The molecular formula of (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester is C12H12N2O3S2.
What is the molecular weight of (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester?
The molecular weight of (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester is 296.03 g/mol.
Where can I buy (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester?
You can request a quote for (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.