1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
TL;DR: 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene (CAS 109511-58-2) is a chemical compound with molecular formula C18H16N6S2 and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile
Also Known As: KBio2_000564, KBio2_003132, KBio2_005700, KBio3_001007, KBio3_001008
| Molecular Formula | C18H16N6S2 |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0878 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 109511-58-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N |
| InChIKey | DVEXZJFMOKTQEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene (CAS 109511-58-2), with molecular formula C18H16N6S2 and molecular weight 380.09 g/mol. IUPAC: 2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile.
Chemical Property Profile of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
Property Insights of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene. The TPSA of 202.0 Ų indicates high polarity, suggesting 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene has 4 hydrogen bond donor(s) and 8 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 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
The CAS number of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene is 109511-58-2.
What is the molecular formula of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
The molecular formula of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene is C18H16N6S2.
What is the molecular weight of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
The molecular weight of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene is 380.09 g/mol.
Where can I buy 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
You can request a quote for 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.