5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
TL;DR: 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide (CAS 92680-93-8) is a chemical compound with molecular formula C13H18N2O2S2 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)hexanamide
Also Known As: xenorhabdin V, 5-methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide, 5-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)hexanamide, N-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-5-methylhexanamide, 5-Methyl-N-(4-methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide
| Molecular Formula | C13H18N2O2S2 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.08096 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 92680-93-8 |
|---|---|
| SMILES | CC(C)CCCC(=O)NC1=C2C(=CSS2)N(C1=O)C |
| InChIKey | KGJPNIILIDNCCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide (CAS 92680-93-8), with molecular formula C13H18N2O2S2 and molecular weight 298.08 g/mol. IUPAC: 5-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)hexanamide.
Chemical Property Profile of 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
Property Insights of 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-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 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide. Following Lipinski's Rule of Five, 5-Methyl-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 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
The CAS number of 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide is 92680-93-8.
What is the molecular formula of 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
The molecular formula of 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide is C13H18N2O2S2.
What is the molecular weight of 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
The molecular weight of 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide is 298.08 g/mol.
Where can I buy 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
You can request a quote for 5-Methyl-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 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-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.