![3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE structure](/static/products/221/221179-13-1.png)
3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE
TL;DR: 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE (CAS 221179-13-1) is a chemical compound with molecular formula C21H12Cl2N4O2S and molecular weight 454.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-2-(3,4-dichlorobenzoyl)-4-(4-hydroxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
Also Known As: 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE, 3,6-diamino-2-(3,4-dichlorobenzoyl)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-7H-thieno[2,3-b]pyridine-5-carbonitrile, 3,6-diamino-2-[(3,4-dichlorophenyl)carbonyl]-4-(4-hydroxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
| Molecular Formula | C21H12Cl2N4O2S |
|---|---|
| Molecular Weight | 454.01 g/mol |
| LogP | 5.24278 |
| Topological Polar Surface Area | 126.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.0058 |
| Heavy Atoms | 30 |
| Complexity | 1375.0183 |
Chemical Identifiers
| CAS Number | 221179-13-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC(=C(C=C4)Cl)Cl)N)N)C#N)O |
Product Overview
3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE (CAS 221179-13-1), with molecular formula C21H12Cl2N4O2S and molecular weight 454.01 g/mol. IUPAC: 3,6-diamino-2-(3,4-dichlorobenzoyl)-4-(4-hydroxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile.
Chemical Property Profile of 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE
Property Insights of 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE
The XLogP value of 5.24278 indicates that 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE. Following Lipinski's Rule of Five, 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE?
The CAS number of 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE is 221179-13-1.
What is the molecular formula of 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE?
The molecular formula of 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE is C21H12Cl2N4O2S.
What is the molecular weight of 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE?
The molecular weight of 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE is 454.01 g/mol.
Where can I buy 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE?
You can request a quote for 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE?
Yes, KEHONG BIO provides custom synthesis services for 3,6-DIAMINO-2-(3,4-DICHLOROBENZOYL)-4-(4-HYDROXYPHENYL)THIENO[2,3-B]PYRIDINE-5-CARBONITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.