KC 5944
TL;DR: KC 5944 (CAS 87566-34-5) is a chemical compound with molecular formula C17H19N3S and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
Also Known As: KC 5944, 3-Methyl-7-(2-thienyl)-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-Hexahydro-3-methyl-7-(2-thienyl)-pyrazino(1,2-a)(1,4)benzodiazepine, Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3-methyl-7-(2-thienyl)-, 1,2,3,4,4a,5-hexahydro-3-methyl-7-(2-thienyl)-pyrazino-(1,2a)(1,4)-benzodiazepine
| Molecular Formula | C17H19N3S |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.12997 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 87566-34-5 |
|---|---|
| SMILES | CN1CCN2C(C1)CN=C(C3=CC=CC=C32)C4=CC=CS4 |
| InChIKey | XQBGBAIMRUCERS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KC 5944 (CAS 87566-34-5), with molecular formula C17H19N3S and molecular weight 297.13 g/mol. IUPAC: 3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine.
Chemical Property Profile of KC 5944
Property Insights of KC 5944
The XLogP value of 3.1 indicates that KC 5944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, KC 5944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KC 5944 has 0 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 KC 5944?
The CAS number of KC 5944 is 87566-34-5.
What is the molecular formula of KC 5944?
The molecular formula of KC 5944 is C17H19N3S.
What is the molecular weight of KC 5944?
The molecular weight of KC 5944 is 297.13 g/mol.
Where can I buy KC 5944?
You can request a quote for KC 5944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KC 5944?
Yes, KEHONG BIO provides custom synthesis services for KC 5944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.