N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide
TL;DR: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide (CAS 134599-45-4) is a chemical compound with molecular formula C17H16ClNO2S and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide
Also Known As: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide, N-(3-Benzoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-chloro-acetamide, BAS 01842883, N-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-chloroacetamide, UPCMLD0ENAT0517-5821:001
| Molecular Formula | C17H16ClNO2S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.05902 |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 134599-45-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCl)C(=O)C3=CC=CC=C3 |
| InChIKey | DUPPAIAMUYJWIN-UHFFFAOYSA-N |
Product Overview
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide (CAS 134599-45-4), with molecular formula C17H16ClNO2S and molecular weight 333.06 g/mol. IUPAC: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide.
Chemical Property Profile of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide
Property Insights of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide
The XLogP value of 4.9 indicates that N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide. Following Lipinski's Rule of Five, N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide has 1 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-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide?
The CAS number of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide is 134599-45-4.
What is the molecular formula of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide?
The molecular formula of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide is C17H16ClNO2S.
What is the molecular weight of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide?
The molecular weight of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide is 333.06 g/mol.
Where can I buy N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide?
You can request a quote for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.