4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile
TL;DR: 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile (CAS 445265-82-7) is a chemical compound with molecular formula C20H16ClN3O3S and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile
Also Known As: 4-amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile, AM-807/12427313, 4-amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)-3-thiophenecarbonitrile, 4-amino-2-((3-chlorophenyl)amino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile, 4-amino-2-[(3-chlorophenyl)amino]-5-[(3,4-dimethoxyphenyl)carbonyl]thiophene-3-carbonitrile
| Molecular Formula | C20H16ClN3O3S |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 4.84718 |
| Topological Polar Surface Area | 97.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.0601 |
| Heavy Atoms | 28 |
| Complexity | 1088.7854 |
Chemical Identifiers
| CAS Number | 445265-82-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC(=CC=C3)Cl)C#N)N)OC |
Product Overview
4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile (CAS 445265-82-7), with molecular formula C20H16ClN3O3S and molecular weight 413.06 g/mol. IUPAC: 4-amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile.
Chemical Property Profile of 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile
Property Insights of 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile
The XLogP value of 4.84718 indicates that 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile has 2 hydrogen bond donor(s) and 7 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 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile?
The CAS number of 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile is 445265-82-7.
What is the molecular formula of 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile?
The molecular formula of 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile is C20H16ClN3O3S.
What is the molecular weight of 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile?
The molecular weight of 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile is 413.06 g/mol.
Where can I buy 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile?
You can request a quote for 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.