![2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate structure](/static/products/4061/4061-42-1.webp)
2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate
TL;DR: 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate (CAS 4061-42-1) is a chemical compound with molecular formula C20H20N2O5S3 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate
Also Known As: 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate, 2-[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]benzothiazol-2-yl]sulfanylethyl Acetate, 2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate
| Molecular Formula | C20H20N2O5S3 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 3.5362 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.05344 |
| Heavy Atoms | 30 |
| Complexity | 1170.875 |
Chemical Identifiers
| CAS Number | 4061-42-1 |
|---|---|
| SMILES | CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C |
Product Overview
2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate (CAS 4061-42-1), with molecular formula C20H20N2O5S3 and molecular weight 464.05 g/mol. IUPAC: 2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate.
Chemical Property Profile of 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate
Property Insights of 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate
The XLogP value of 3.5362 indicates that 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate. Following Lipinski's Rule of Five, 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate has 1 hydrogen bond donor(s) and 8 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-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate?
The CAS number of 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate is 4061-42-1.
What is the molecular formula of 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate?
The molecular formula of 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate is C20H20N2O5S3.
What is the molecular weight of 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate?
The molecular weight of 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate is 464.05 g/mol.
Where can I buy 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate?
You can request a quote for 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-{2-[4-(Methanesulfonyl)phenyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.