N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺
TL;DR: N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺 (CAS 92680-91-6) 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.
N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺
N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)octanamide
Also Known As: xenorhabdin III, Xenorhabdin 3, Octanoyl holothin, N-(5-oxo-4h-dithiolo(3,4-d)pyrrol-6-yl)octanamide, N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)octanamide
| Molecular Formula | C13H18N2O2S2 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.08096 |
| Heavy Atoms | 19 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 92680-91-6 |
|---|---|
| SMILES | CCCCCCCC(=O)NC1=C2C(=CSS2)NC1=O |
| InChIKey | KMGWVOLORMQZAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺 (CAS 92680-91-6), with molecular formula C13H18N2O2S2 and molecular weight 298.08 g/mol. IUPAC: N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)octanamide.
Chemical Property Profile of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺
Property Insights of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺. Following Lipinski's Rule of Five, N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺 has 2 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-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺?
The CAS number of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺 is 92680-91-6.
What is the molecular formula of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺?
The molecular formula of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺 is C13H18N2O2S2.
What is the molecular weight of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺?
The molecular weight of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺 is 298.08 g/mol.
Where can I buy N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺?
You can request a quote for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)辛酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.