![2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone structure](/static/products/5329/532949-77-2.webp)
2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
TL;DR: 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CAS 532949-77-2) is a chemical compound with molecular formula C13H15N3OS2 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone, 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone, AN-465/41674427, 2-((6-aminobenzo[d]thiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-ylamine
| Molecular Formula | C13H15N3OS2 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 2.593 |
| Topological Polar Surface Area | 59.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.06564 |
| Heavy Atoms | 19 |
| Complexity | 604.95416 |
Chemical Identifiers
| CAS Number | 532949-77-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N |
Product Overview
2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CAS 532949-77-2), with molecular formula C13H15N3OS2 and molecular weight 293.07 g/mol. IUPAC: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Property Insights of 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
The XLogP value of 2.593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone. With a topological polar surface area (TPSA) of 59.22 Ų, 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone 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 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The CAS number of 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is 532949-77-2.
What is the molecular formula of 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The molecular formula of 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is C13H15N3OS2.
What is the molecular weight of 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The molecular weight of 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is 293.07 g/mol.
Where can I buy 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
You can request a quote for 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Amino-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.