RefChem:1088007
TL;DR: RefChem:1088007 (CAS 75348-45-7) is a chemical compound with molecular formula C29H41N3O9 and molecular weight 575.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Ketone, 4-(hexahydro-1H-azepin-1-yl)carbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate, KETONE, 4-(HEXAHYDRO-1H-AZEPIN-1-YL)CARBONYLMETHYLPIPERAZINYL 3,4,5-TRIMETHOXYCI, (E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1088007
| Molecular Formula | C29H41N3O9 |
|---|---|
| Molecular Weight | 575.28 g/mol |
| LogP | -0.3775 |
| Topological Polar Surface Area | 150.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 575.2843 |
| Heavy Atoms | 41 |
| Complexity | 1071.2484 |
Chemical Identifiers
| CAS Number | 75348-45-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C/CC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)OC)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1088007 (CAS 75348-45-7), with molecular formula C29H41N3O9 and molecular weight 575.28 g/mol. IUPAC: (E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1088007
Property Insights of RefChem:1088007
The XLogP value of -0.3775 indicates that RefChem:1088007 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.18 Ų indicates high polarity, suggesting RefChem:1088007 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1088007 has 2 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:1088007?
The CAS number of RefChem:1088007 is 75348-45-7.
What is the molecular formula of RefChem:1088007?
The molecular formula of RefChem:1088007 is C29H41N3O9.
What is the molecular weight of RefChem:1088007?
The molecular weight of RefChem:1088007 is 575.28 g/mol.
Where can I buy RefChem:1088007?
You can request a quote for RefChem:1088007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088007?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.