RefChem:1096742
TL;DR: RefChem:1096742 (CAS 135017-91-3) is a chemical compound with molecular formula C22H28N6O5S and molecular weight 488.18 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-(thiomorpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Also Known As: Propanedinitrile, (1-(2-(((5-(4-thiomorpholinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-[1-[2-[[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile, RefChem:1096742
| Molecular Formula | C22H28N6O5S |
|---|---|
| Molecular Weight | 488.18 g/mol |
| LogP | 0.79376 |
| Topological Polar Surface Area | 165.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.1842 |
| Heavy Atoms | 34 |
| Complexity | 939.1641 |
Chemical Identifiers
| CAS Number | 135017-91-3 |
|---|---|
| SMILES | C1CN(C(=C(C#N)C#N)N1)CCNCC2=CC=C(O2)CN3CCSCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096742 (CAS 135017-91-3), with molecular formula C22H28N6O5S and molecular weight 488.18 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[1-[2-[[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile.
Chemical Property Profile of RefChem:1096742
Property Insights of RefChem:1096742
The XLogP value of 0.79376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096742. The TPSA of 165.86 Ų indicates high polarity, suggesting RefChem:1096742 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096742 has 4 hydrogen bond donor(s) and 10 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:1096742?
The CAS number of RefChem:1096742 is 135017-91-3.
What is the molecular formula of RefChem:1096742?
The molecular formula of RefChem:1096742 is C22H28N6O5S.
What is the molecular weight of RefChem:1096742?
The molecular weight of RefChem:1096742 is 488.18 g/mol.
Where can I buy RefChem:1096742?
You can request a quote for RefChem:1096742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096742?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.