3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile
TL;DR: 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile (CAS 78583-97-8) is a chemical compound with molecular formula C19H17N3OS and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile
Also Known As: 3,4-diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile
| Molecular Formula | C19H17N3OS |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.10922 |
| Heavy Atoms | 24 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 78583-97-8 |
|---|---|
| SMILES | CCC1=C(C2=C(C(=C1C#N)N)C(=C(S2)C(=O)C3=CC=CC=C3)N)C |
| InChIKey | XGIQOFGDZPLEFI-UHFFFAOYSA-N |
Product Overview
3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile (CAS 78583-97-8), with molecular formula C19H17N3OS and molecular weight 335.11 g/mol. IUPAC: 3,4-diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile.
Chemical Property Profile of 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile
Property Insights of 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile
The XLogP value of 4.7 indicates that 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile. Following Lipinski's Rule of Five, 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile has 2 hydrogen bond donor(s) and 5 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 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile?
The CAS number of 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile is 78583-97-8.
What is the molecular formula of 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile?
The molecular formula of 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile is C19H17N3OS.
What is the molecular weight of 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile?
The molecular weight of 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile is 335.11 g/mol.
Where can I buy 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile?
You can request a quote for 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.