![4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile structure](/static/products/4780/478081-53-7.webp)
4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile
TL;DR: 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile (CAS 478081-53-7) is a chemical compound with molecular formula C19H12Cl2N2OS2 and molecular weight 417.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-benzoyl-2-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-3-carbonitrile
Also Known As: 8P-382S, 4-amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile, 4-amino-5-benzoyl-2-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-3-carbonitrile, 4-amino-5-benzoyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}thiophene-3-carbonitrile
| Molecular Formula | C19H12Cl2N2OS2 |
|---|---|
| Molecular Weight | 417.98 g/mol |
| LogP | 6.03208 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.9768 |
| Heavy Atoms | 26 |
| Complexity | 1010.36884 |
Chemical Identifiers
| CAS Number | 478081-53-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)SCC3=CC(=C(C=C3)Cl)Cl)C#N)N |
Product Overview
4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile (CAS 478081-53-7), with molecular formula C19H12Cl2N2OS2 and molecular weight 417.98 g/mol. IUPAC: 4-amino-5-benzoyl-2-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-3-carbonitrile.
Chemical Property Profile of 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile
Property Insights of 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile
The XLogP value of 6.03208 indicates that 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile has 1 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 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile?
The CAS number of 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile is 478081-53-7.
What is the molecular formula of 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile?
The molecular formula of 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile is C19H12Cl2N2OS2.
What is the molecular weight of 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile?
The molecular weight of 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile is 417.98 g/mol.
Where can I buy 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile?
You can request a quote for 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-benzoyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.