![5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one structure](/static/products/104/1049754-66-6.png)
5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one
TL;DR: 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one (CAS 1049754-66-6) is a chemical compound with molecular formula C18H22BrNO3S2 and molecular weight 443.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-5-methyl-4-(2-methylpropyl)oxolan-2-one;hydrobromide
Also Known As: 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one, 5-(2-(benzo[d]thiazol-2-ylthio)acetyl)-4-isobutyl-5-methyldihydrofuran-2(3H)-one hydrobromide
| Molecular Formula | C18H22BrNO3S2 |
|---|---|
| Molecular Weight | 443.02 g/mol |
| LogP | 4.9033 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.02246 |
| Heavy Atoms | 25 |
| Complexity | 743.52185 |
Chemical Identifiers
| CAS Number | 1049754-66-6 |
|---|---|
| SMILES | CC(C)CC1CC(=O)OC1(C)C(=O)CSC2=NC3=CC=CC=C3S2.Br |
Product Overview
5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one (CAS 1049754-66-6), with molecular formula C18H22BrNO3S2 and molecular weight 443.02 g/mol. IUPAC: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-5-methyl-4-(2-methylpropyl)oxolan-2-one;hydrobromide.
Chemical Property Profile of 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one
Property Insights of 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one
The XLogP value of 4.9033 indicates that 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one has 0 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 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one?
The CAS number of 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one is 1049754-66-6.
What is the molecular formula of 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one?
The molecular formula of 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one is C18H22BrNO3S2.
What is the molecular weight of 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one?
The molecular weight of 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one is 443.02 g/mol.
Where can I buy 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one?
You can request a quote for 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-4-isobutyl-5-methyl-dihydro-furan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.