RefChem:1096739
TL;DR: RefChem:1096739 (CAS 135017-80-0) is a chemical compound with molecular formula C20H26N6O5 and molecular weight 430.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Also Known As: Propanedinitrile, (1-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid,2-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile, (E)-but-2-enedioic acid; 2-[1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile, Propanedinitrile,(1-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-,(E)-2-butenedioate (1:1), RefChem:1096739
| Molecular Formula | C20H26N6O5 |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 0.30656 |
| Topological Polar Surface Area | 165.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 430.19647 |
| Heavy Atoms | 31 |
| Complexity | 858.6071 |
Chemical Identifiers
| CAS Number | 135017-80-0 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CNCCN2CCNC2=C(C#N)C#N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096739 (CAS 135017-80-0), with molecular formula C20H26N6O5 and molecular weight 430.20 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile.
Chemical Property Profile of RefChem:1096739
Property Insights of RefChem:1096739
The XLogP value of 0.30656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096739. The TPSA of 165.86 Ų indicates high polarity, suggesting RefChem:1096739 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096739 has 4 hydrogen bond donor(s) and 9 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 RefChem:1096739?
The CAS number of RefChem:1096739 is 135017-80-0.
What is the molecular formula of RefChem:1096739?
The molecular formula of RefChem:1096739 is C20H26N6O5.
What is the molecular weight of RefChem:1096739?
The molecular weight of RefChem:1096739 is 430.20 g/mol.
Where can I buy RefChem:1096739?
You can request a quote for RefChem:1096739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096739?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.