RefChem:1067449
TL;DR: RefChem:1067449 (CAS 106063-82-5) is a chemical compound with molecular formula C28H37NO10 and molecular weight 547.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[2-[(E)-3-hydroxy-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl]azanium
Also Known As: 3-Buten-2-ol, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (salt) (1:1), 3-(2-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-ol citrate (1:1), 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-[2-[(E)-3-hydroxy-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl]azanium, RefChem:1067449
| Molecular Formula | C28H37NO10 |
|---|---|
| Molecular Weight | 547.24 g/mol |
| LogP | 0.2076 |
| Topological Polar Surface Area | 178.09 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 547.24176 |
| Heavy Atoms | 39 |
| Complexity | 1064.7612 |
Chemical Identifiers
| CAS Number | 106063-82-5 |
|---|---|
| SMILES | CC[NH+](CC)CCOC1=CC=CC=C1O/C(=C/C2=CC=CC=C2)/C(C)O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
Product Overview
RefChem:1067449 (CAS 106063-82-5), with molecular formula C28H37NO10 and molecular weight 547.24 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[2-[(E)-3-hydroxy-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl]azanium.
Chemical Property Profile of RefChem:1067449
Property Insights of RefChem:1067449
The XLogP value of 0.2076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1067449. The TPSA of 178.09 Ų indicates high polarity, suggesting RefChem:1067449 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1067449 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1067449?
The CAS number of RefChem:1067449 is 106063-82-5.
What is the molecular formula of RefChem:1067449?
The molecular formula of RefChem:1067449 is C28H37NO10.
What is the molecular weight of RefChem:1067449?
The molecular weight of RefChem:1067449 is 547.24 g/mol.
Where can I buy RefChem:1067449?
You can request a quote for RefChem:1067449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067449?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.