N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
TL;DR: N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide (CAS 92680-92-7) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)hexanamide
Also Known As: xenorhabdin IV, hexanoylholothin, N- hexanamide, Hexanonylpyrrothine, N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
| Molecular Formula | C12H16N2O2S2 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.0653 |
| Heavy Atoms | 18 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 92680-92-7 |
|---|---|
| SMILES | CCCCCC(=O)NC1=C2C(=CSS2)N(C1=O)C |
| InChIKey | ZXLPBBAXZZCKNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide (CAS 92680-92-7), with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol. IUPAC: N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)hexanamide.
Chemical Property Profile of N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
Property Insights of N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide. Following Lipinski's Rule of Five, N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide has 1 hydrogen bond donor(s) and 4 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 N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
The CAS number of N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide is 92680-92-7.
What is the molecular formula of N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
The molecular formula of N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide is C12H16N2O2S2.
What is the molecular weight of N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
The molecular weight of N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide is 284.07 g/mol.
Where can I buy N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
You can request a quote for N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.