RefChem:1062652
TL;DR: RefChem:1062652 (CAS 84386-12-9) is a chemical compound with molecular formula C17H23NO7 and molecular weight 353.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholine;(E)-4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid
Also Known As: (E)-4-(3,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid morpholine salt, 2-Butenoic acid, 4-oxo-4-(3,4,5-trimethoxyphenyl)-, (E)-, compd. with morpholine (1:1), morpholine; (E)-4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid, RefChem:1062652
| Molecular Formula | C17H23NO7 |
|---|---|
| Molecular Weight | 353.15 g/mol |
| LogP | 1.1421 |
| Topological Polar Surface Area | 103.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.14746 |
| Heavy Atoms | 25 |
| Complexity | 572.4993 |
Chemical Identifiers
| CAS Number | 84386-12-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)/C=C/C(=O)O.C1COCCN1 |
Product Overview
RefChem:1062652 (CAS 84386-12-9), with molecular formula C17H23NO7 and molecular weight 353.15 g/mol. IUPAC: morpholine;(E)-4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid.
Chemical Property Profile of RefChem:1062652
Property Insights of RefChem:1062652
The XLogP value of 1.1421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062652. The TPSA of 103.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062652. Following Lipinski's Rule of Five, RefChem:1062652 has 2 hydrogen bond donor(s) and 7 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:1062652?
The CAS number of RefChem:1062652 is 84386-12-9.
What is the molecular formula of RefChem:1062652?
The molecular formula of RefChem:1062652 is C17H23NO7.
What is the molecular weight of RefChem:1062652?
The molecular weight of RefChem:1062652 is 353.15 g/mol.
Where can I buy RefChem:1062652?
You can request a quote for RefChem:1062652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062652?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.