N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
TL;DR: N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide (CAS 5553-31-1) is a chemical compound with molecular formula C10H18ClNO3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-chloro-N-(1,1-dioxothiolan-3-yl)acetamide
Also Known As: N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide, 5559AE, N-Butyl-2-chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acetamide, N-butyl-2-chloro-N-(1,1-dioxothiolan-3-yl)acetamide, N-butyl-2-chloro-N-(1,1-dioxidotetrahydrothien-3-yl)acetamide
| Molecular Formula | C10H18ClNO3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.041 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.06958 |
| Heavy Atoms | 16 |
| Complexity | 341.9733 |
Chemical Identifiers
| CAS Number | 5553-31-1 |
|---|---|
| SMILES | CCCCN(C1CCS(=O)(=O)C1)C(=O)CCl |
Product Overview
N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide (CAS 5553-31-1), with molecular formula C10H18ClNO3S and molecular weight 267.07 g/mol. IUPAC: N-butyl-2-chloro-N-(1,1-dioxothiolan-3-yl)acetamide.
Chemical Property Profile of N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Property Insights of N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
The XLogP value of 1.041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide. With a topological polar surface area (TPSA) of 54.45 Ų, N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide has 0 hydrogen bond donor(s) and 3 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 N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
The CAS number of N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide is 5553-31-1.
What is the molecular formula of N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
The molecular formula of N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide is C10H18ClNO3S.
What is the molecular weight of N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
The molecular weight of N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide is 267.07 g/mol.
Where can I buy N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
You can request a quote for N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.