RefChem:1064540
TL;DR: RefChem:1064540 (CAS 82885-75-4) is a chemical compound with molecular formula C34H38N2O12 and molecular weight 666.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl (E)-3-[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enoate
Also Known As: 2-Propenoic acid, 3-(2-methoxy-5-(1-oxo-3-phenyl-2-propenyl)phenyl)-, 2-(4-methyl-1-piperazinyl)ethyl ester, (E,E)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl (E)-3-[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enoate, but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl (E)-3-[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enoate, RefChem:1064540
| Molecular Formula | C34H38N2O12 |
|---|---|
| Molecular Weight | 666.24 g/mol |
| LogP | 2.8187 |
| Topological Polar Surface Area | 208.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 666.2425 |
| Heavy Atoms | 48 |
| Complexity | 1439.2216 |
Chemical Identifiers
| CAS Number | 82885-75-4 |
|---|---|
| SMILES | CN1CCN(CC1)CCOC(=O)/C=C/C2=C(C=CC(=C2)C(=O)/C=C/C3=CC=CC=C3)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064540 (CAS 82885-75-4), with molecular formula C34H38N2O12 and molecular weight 666.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl (E)-3-[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enoate.
Chemical Property Profile of RefChem:1064540
Property Insights of RefChem:1064540
The XLogP value of 2.8187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064540. The TPSA of 208.28 Ų indicates high polarity, suggesting RefChem:1064540 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064540 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064540?
The CAS number of RefChem:1064540 is 82885-75-4.
What is the molecular formula of RefChem:1064540?
The molecular formula of RefChem:1064540 is C34H38N2O12.
What is the molecular weight of RefChem:1064540?
The molecular weight of RefChem:1064540 is 666.24 g/mol.
Where can I buy RefChem:1064540?
You can request a quote for RefChem:1064540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064540?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.