N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
TL;DR: N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide (CAS 453576-43-7) is a chemical compound with molecular formula C13H16ClNO3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-chloro-N-(1,1-dioxothiolan-3-yl)acetamide
Also Known As: N-Benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide, N-benzyl-2-chloro-N-(1,1-dioxothiolan-3-yl)acetamide, N-benzyl-2-chloro-N-(sulfolan-3-yl)acetamide, N-Benzyl-2-chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acetamide, N-benzyl-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
| Molecular Formula | C13H16ClNO3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 1.4411 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.05396 |
| Heavy Atoms | 19 |
| Complexity | 544.2666 |
Chemical Identifiers
| CAS Number | 453576-43-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)CCl |
Product Overview
N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide (CAS 453576-43-7), with molecular formula C13H16ClNO3S and molecular weight 301.05 g/mol. IUPAC: N-benzyl-2-chloro-N-(1,1-dioxothiolan-3-yl)acetamide.
Chemical Property Profile of N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
Property Insights of N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
The XLogP value of 1.4411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide. With a topological polar surface area (TPSA) of 54.45 Ų, N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-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-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide?
The CAS number of N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide is 453576-43-7.
What is the molecular formula of N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide?
The molecular formula of N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide is C13H16ClNO3S.
What is the molecular weight of N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide?
The molecular weight of N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide is 301.05 g/mol.
Where can I buy N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide?
You can request a quote for N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-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-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.