RefChem:1058177
TL;DR: RefChem:1058177 (CAS 72808-66-3) is a chemical compound with molecular formula C38H48N4O6 and molecular weight 656.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole)
Also Known As: 5-Methoxy-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-1H-indole (E)-2-butenedioate (2:1), 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-, (E)-2-butenedioate (2:1), (E)-but-2-enedioic acid; 5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole, RefChem:1058177
| Molecular Formula | C38H48N4O6 |
|---|---|
| Molecular Weight | 656.36 g/mol |
| LogP | 7.063 |
| Topological Polar Surface Area | 131.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 656.35736 |
| Heavy Atoms | 48 |
| Complexity | 1637.1964 |
Chemical Identifiers
| CAS Number | 72808-66-3 |
|---|---|
| SMILES | CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)OC.CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058177 (CAS 72808-66-3), with molecular formula C38H48N4O6 and molecular weight 656.36 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole).
Chemical Property Profile of RefChem:1058177
Property Insights of RefChem:1058177
The XLogP value of 7.063 indicates that RefChem:1058177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058177. Following Lipinski's Rule of Five, RefChem:1058177 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058177?
The CAS number of RefChem:1058177 is 72808-66-3.
What is the molecular formula of RefChem:1058177?
The molecular formula of RefChem:1058177 is C38H48N4O6.
What is the molecular weight of RefChem:1058177?
The molecular weight of RefChem:1058177 is 656.36 g/mol.
Where can I buy RefChem:1058177?
You can request a quote for RefChem:1058177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058177?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.