![3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide structure](/static/products/5870/587009-60-7.webp)
3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide (CAS 587009-60-7) is a chemical compound with molecular formula C22H22Cl2N2O3S2 and molecular weight 496.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide
Also Known As: 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide, BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3,4-DICHLORO-N-[[4-(DIMETHYLAMINO)PHENYL]METHYL]-N-(TETRAHYDRO-1,1-DIOXIDO-3-THIENYL)-
| Molecular Formula | C22H22Cl2N2O3S2 |
|---|---|
| Molecular Weight | 496.04 g/mol |
| LogP | 5.1036 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.0449 |
| Heavy Atoms | 31 |
| Complexity | 1237.6245 |
Chemical Identifiers
| CAS Number | 587009-60-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl |
Product Overview
3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide (CAS 587009-60-7), with molecular formula C22H22Cl2N2O3S2 and molecular weight 496.04 g/mol. IUPAC: 3,4-dichloro-N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 5.1036 indicates that 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide is 587009-60-7.
What is the molecular formula of 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide is C22H22Cl2N2O3S2.
What is the molecular weight of 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide is 496.04 g/mol.
Where can I buy 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.