RefChem:1082774
TL;DR: RefChem:1082774 (CAS 85467-65-8) is a chemical compound with molecular formula C20H25NO6 and molecular weight 375.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[[(1S,2R)-2-phenyl-2-prop-2-enoxycarbonylcyclopropyl]methyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid 2-propenyl ester fumarate, Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, 2-propenyl ester, (Z)-, (E)-2-butenedioate (1:1), CYCLOPROPANECARBOXYLIC ACID, 2-((DIMETHYLAMINO)METHYL)-1-PHENYL-, 2-PROPENYL EST, dimethyl-[[(1S,2R)-2-phenyl-2-prop-2-enoxycarbonylcyclopropyl]methyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate, RefChem:1082774
| Molecular Formula | C20H25NO6 |
|---|---|
| Molecular Weight | 375.17 g/mol |
| LogP | -0.8049 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.16818 |
| Heavy Atoms | 27 |
| Complexity | 681.6833 |
Chemical Identifiers
| CAS Number | 85467-65-8 |
|---|---|
| SMILES | C[NH+](C)C[C@H]1C[C@@]1(C2=CC=CC=C2)C(=O)OCC=C.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1082774 (CAS 85467-65-8), with molecular formula C20H25NO6 and molecular weight 375.17 g/mol. IUPAC: dimethyl-[[(1S,2R)-2-phenyl-2-prop-2-enoxycarbonylcyclopropyl]methyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1082774
Property Insights of RefChem:1082774
The XLogP value of -0.8049 indicates that RefChem:1082774 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1082774. Following Lipinski's Rule of Five, RefChem:1082774 has 2 hydrogen bond donor(s) and 5 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:1082774?
The CAS number of RefChem:1082774 is 85467-65-8.
What is the molecular formula of RefChem:1082774?
The molecular formula of RefChem:1082774 is C20H25NO6.
What is the molecular weight of RefChem:1082774?
The molecular weight of RefChem:1082774 is 375.17 g/mol.
Where can I buy RefChem:1082774?
You can request a quote for RefChem:1082774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082774?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.