SK 946
TL;DR: SK 946 (CAS 167889-18-1) is a chemical compound with molecular formula C19H25N3O6 and molecular weight 391.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitroaniline
Also Known As: N-(2-(1-azabicyclo(3.3.0)octan-5-yl)ethyl)-2-nitroaniline, SID:134223092, (E)-but-2-enedioic acid;N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitroaniline, Aniline, N-(2-(1-azabicyclo(3.3.0)octan-5-yl)ethyl)-2-nitro-, N-[2-(1-Azabicyclo[3.3.0]octan-5-yl)ethyl]-2-nitroaniline(fumarate)
| Molecular Formula | C19H25N3O6 |
|---|---|
| Molecular Weight | 391.17 g/mol |
| LogP | 2.737 |
| Topological Polar Surface Area | 133.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.17435 |
| Heavy Atoms | 28 |
| Complexity | 722.93945 |
Chemical Identifiers
| CAS Number | 167889-18-1 |
|---|---|
| SMILES | C1CC2(CCCN2C1)CCNC3=CC=CC=C3[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O |
Product Overview
SK 946 (CAS 167889-18-1), with molecular formula C19H25N3O6 and molecular weight 391.17 g/mol. IUPAC: (E)-but-2-enedioic acid;N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitroaniline.
Chemical Property Profile of SK 946
Property Insights of SK 946
The XLogP value of 2.737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SK 946. The TPSA of 133.01 Ų falls within the moderate polarity range, balancing permeability and solubility for SK 946. Following Lipinski's Rule of Five, SK 946 has 3 hydrogen bond donor(s) and 6 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 SK 946?
The CAS number of SK 946 is 167889-18-1.
What is the molecular formula of SK 946?
The molecular formula of SK 946 is C19H25N3O6.
What is the molecular weight of SK 946?
The molecular weight of SK 946 is 391.17 g/mol.
Where can I buy SK 946?
You can request a quote for SK 946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SK 946?
Yes, KEHONG BIO provides custom synthesis services for SK 946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.