RefChem:1096743
TL;DR: RefChem:1096743 (CAS 135017-95-7) is a chemical compound with molecular formula C28H36N6O9 and molecular weight 600.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[1-[2-[methyl-[[5-(piperidin-1-ylmethyl)furan-2-yl]methyl]amino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Also Known As: Propanedinitrile, (1-(2-(methyl((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-[1-[2-[methyl-[[5-(piperidin-1-ylmethyl)furan-2-yl]methyl]amino]ethyl]imidazolidin-2-ylidene]propanedinitrile, RefChem:1096743
| Molecular Formula | C28H36N6O9 |
|---|---|
| Molecular Weight | 600.25 g/mol |
| LogP | 1.28486 |
| Topological Polar Surface Area | 231.67 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 600.2544 |
| Heavy Atoms | 43 |
| Complexity | 1184.0405 |
Chemical Identifiers
| CAS Number | 135017-95-7 |
|---|---|
| SMILES | CN(CC1=CC=C(O1)CN2CCCCC2)CCN3C(=C(C#N)C#N)NCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096743 (CAS 135017-95-7), with molecular formula C28H36N6O9 and molecular weight 600.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[1-[2-[methyl-[[5-(piperidin-1-ylmethyl)furan-2-yl]methyl]amino]ethyl]imidazolidin-2-ylidene]propanedinitrile.
Chemical Property Profile of RefChem:1096743
Property Insights of RefChem:1096743
The XLogP value of 1.28486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096743. The TPSA of 231.67 Ų indicates high polarity, suggesting RefChem:1096743 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096743 has 5 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 RefChem:1096743?
The CAS number of RefChem:1096743 is 135017-95-7.
What is the molecular formula of RefChem:1096743?
The molecular formula of RefChem:1096743 is C28H36N6O9.
What is the molecular weight of RefChem:1096743?
The molecular weight of RefChem:1096743 is 600.25 g/mol.
Where can I buy RefChem:1096743?
You can request a quote for RefChem:1096743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096743?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.