RefChem:1096841
TL;DR: RefChem:1096841 (CAS 108957-94-4) is a chemical compound with molecular formula C23H26N2O7 and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;ethyl 2-[(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)oxy]-2-methylpropanoate
Also Known As: Propanoic acid, 2-((5,6-dihydro-7-(1H-imidazol-1-yl)-2-naphthalenyl)oxy)-2-methyl-, ethyl ester, (Z)-2-butenedioate (1:1), Ethyl 2-((5,6-dihydro-7-(1H-imidazol-1-yl)-2-naphthalenyl)oxy)-2-methylpropanoate, (E)-but-2-enedioic acid; ethyl 2-[(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)oxy]-2-methylpropanoate, RefChem:1096841
| Molecular Formula | C23H26N2O7 |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 3.2597 |
| Topological Polar Surface Area | 127.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.174 |
| Heavy Atoms | 32 |
| Complexity | 1004.9708 |
Chemical Identifiers
| CAS Number | 108957-94-4 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC2=C(CCC(=C2)N3C=CN=C3)C=C1.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096841 (CAS 108957-94-4), with molecular formula C23H26N2O7 and molecular weight 442.17 g/mol. IUPAC: (E)-but-2-enedioic acid;ethyl 2-[(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)oxy]-2-methylpropanoate.
Chemical Property Profile of RefChem:1096841
Property Insights of RefChem:1096841
The XLogP value of 3.2597 indicates that RefChem:1096841 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.95 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096841. Following Lipinski's Rule of Five, RefChem:1096841 has 2 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 RefChem:1096841?
The CAS number of RefChem:1096841 is 108957-94-4.
What is the molecular formula of RefChem:1096841?
The molecular formula of RefChem:1096841 is C23H26N2O7.
What is the molecular weight of RefChem:1096841?
The molecular weight of RefChem:1096841 is 442.17 g/mol.
Where can I buy RefChem:1096841?
You can request a quote for RefChem:1096841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096841?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.