RefChem:1067460
TL;DR: RefChem:1067460 (CAS 106064-06-6) is a chemical compound with molecular formula C25H29NO7 and molecular weight 455.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: (Z)-3-(2-(2-(Dimethylamino)propoxy(and 1-methylethoxy))phenoxy)-4-phenyl-3-buten-2-one maleate, 3-Buten-2-one, 3-(2-(2-(dimethylamino)propoxy(and 1-methylethoxy))phenoxy)-4-phenyl-, maleate (1:1), (Z)-, dimethyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate, 3-BUTEN-2-ONE, 3-(2-(2-(DIMETHYLAMINO)PROPOXY(and 1-METHYLETHOXY))PHENOXY)-4-PHE, dimethyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]azanium,(Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C25H29NO7 |
|---|---|
| Molecular Weight | 455.19 g/mol |
| LogP | 0.986 |
| Topological Polar Surface Area | 117.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 455.1944 |
| Heavy Atoms | 33 |
| Complexity | 949.7305 |
Chemical Identifiers
| CAS Number | 106064-06-6 |
|---|---|
| SMILES | CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1067460 (CAS 106064-06-6), with molecular formula C25H29NO7 and molecular weight 455.19 g/mol. IUPAC: dimethyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1067460
Property Insights of RefChem:1067460
The XLogP value of 0.986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1067460. The TPSA of 117.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1067460. Following Lipinski's Rule of Five, RefChem:1067460 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:1067460?
The CAS number of RefChem:1067460 is 106064-06-6.
What is the molecular formula of RefChem:1067460?
The molecular formula of RefChem:1067460 is C25H29NO7.
What is the molecular weight of RefChem:1067460?
The molecular weight of RefChem:1067460 is 455.19 g/mol.
Where can I buy RefChem:1067460?
You can request a quote for RefChem:1067460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067460?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.