![2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] structure](/static/products/7645/76451-05-3.webp)
2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]
TL;DR: 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] (CAS 76451-05-3) is a chemical compound with molecular formula C16H22N2O4S2 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid
Also Known As: 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid], 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)azanylylidene]}bis[4-(methylsulfanyl)butanoic acid], 2-[[4-(1-Carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid, 2-[[4-(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C16H22N2O4S2 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 370.1021 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 76451-05-3 |
|---|---|
| SMILES | CSCCC(C(=O)O)N=C1C=CC(=NC(CCSC)C(=O)O)C=C1 |
| InChIKey | DGSKYXIWXFJVNW-UHFFFAOYSA-N |
Product Overview
2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] (CAS 76451-05-3), with molecular formula C16H22N2O4S2 and molecular weight 370.10 g/mol. IUPAC: 2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]
Property Insights of 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]. The TPSA of 150.0 Ų indicates high polarity, suggesting 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] has 2 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 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]?
The CAS number of 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] is 76451-05-3.
What is the molecular formula of 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]?
The molecular formula of 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] is C16H22N2O4S2.
What is the molecular weight of 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]?
The molecular weight of 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] is 370.10 g/mol.
Where can I buy 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]?
You can request a quote for 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.