KW 5092
TL;DR: KW 5092 (CAS 135017-85-5) is a chemical compound with molecular formula C23H30N6O5 and molecular weight 470.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-[1-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Also Known As: KW 5092, but-2-enedioic acid; 2-[1-[2-[[5-(1-piperidylmethyl)-2-furyl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile, 2-(1-(2-(Methyl(5-(piperidin-1-ylmethyl)furan-2-yl)amino)ethyl)imidazolidin-2-ylidene)malononitrile fumarate, but-2-enedioic acid;2-[1-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
| Molecular Formula | C23H30N6O5 |
|---|---|
| Molecular Weight | 470.23 g/mol |
| LogP | 1.23086 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.22778 |
| Heavy Atoms | 34 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 135017-85-5 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N.C(=CC(=O)O)C(=O)O |
| InChIKey | ULJCVCIVEVXIKD-UHFFFAOYSA-N |
Product Overview
KW 5092 (CAS 135017-85-5), with molecular formula C23H30N6O5 and molecular weight 470.23 g/mol. IUPAC: but-2-enedioic acid;2-[1-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile.
Chemical Property Profile of KW 5092
Property Insights of KW 5092
The XLogP value of 1.23086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KW 5092. The TPSA of 166.0 Ų indicates high polarity, suggesting KW 5092 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KW 5092 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KW 5092?
The CAS number of KW 5092 is 135017-85-5.
What is the molecular formula of KW 5092?
The molecular formula of KW 5092 is C23H30N6O5.
What is the molecular weight of KW 5092?
The molecular weight of KW 5092 is 470.23 g/mol.
Where can I buy KW 5092?
You can request a quote for KW 5092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KW 5092?
Yes, KEHONG BIO provides custom synthesis services for KW 5092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.