![2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole structure](/static/products/6729/672925-47-2.webp)
2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole
TL;DR: 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole (CAS 672925-47-2) is a chemical compound with molecular formula C18H18N2O2S2 and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylsulfonylpyrrolidin-2-yl)-1,3-benzothiazole
Also Known As: Bionet1_003794, 2-[1-(benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole, 2-(1-benzylsulfonylpyrrolidin-2-yl)-1,3-benzothiazole, 5P-524S, 2-(1-phenylmethanesulfonylpyrrolidin-2-yl)-1,3-benzothiazole
| Molecular Formula | C18H18N2O2S2 |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.9632 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.08096 |
| Heavy Atoms | 24 |
| Complexity | 918.3239 |
Chemical Identifiers
| CAS Number | 672925-47-2 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3 |
Product Overview
2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole (CAS 672925-47-2), with molecular formula C18H18N2O2S2 and molecular weight 358.08 g/mol. IUPAC: 2-(1-benzylsulfonylpyrrolidin-2-yl)-1,3-benzothiazole.
Chemical Property Profile of 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole
Property Insights of 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole
The XLogP value of 3.9632 indicates that 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole 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-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole?
The CAS number of 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole is 672925-47-2.
What is the molecular formula of 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole?
The molecular formula of 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole is C18H18N2O2S2.
What is the molecular weight of 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole?
The molecular weight of 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole is 358.08 g/mol.
Where can I buy 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole?
You can request a quote for 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(Benzylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.