RefChem:1097591
TL;DR: RefChem:1097591 (CAS 86640-22-4) is a chemical compound with molecular formula C24H27NO5 and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]pyrrolidine
Also Known As: (+-)-1-(2-(6,11-Dihydrodibenz(b,e)oxepin-6-yl)ethyl)pyrrolidine, Pyrrolidine, 1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)-, (+-)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]pyrrolidine, RefChem:1097591
| Molecular Formula | C24H27NO5 |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 3.9086 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.18893 |
| Heavy Atoms | 30 |
| Complexity | 885.97424 |
Chemical Identifiers
| CAS Number | 86640-22-4 |
|---|---|
| SMILES | C1CCN(C1)CCC2C3=CC=CC=C3CC4=CC=CC=C4O2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097591 (CAS 86640-22-4), with molecular formula C24H27NO5 and molecular weight 409.19 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]pyrrolidine.
Chemical Property Profile of RefChem:1097591
Property Insights of RefChem:1097591
The XLogP value of 3.9086 indicates that RefChem:1097591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097591. Following Lipinski's Rule of Five, RefChem:1097591 has 2 hydrogen bond donor(s) and 4 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:1097591?
The CAS number of RefChem:1097591 is 86640-22-4.
What is the molecular formula of RefChem:1097591?
The molecular formula of RefChem:1097591 is C24H27NO5.
What is the molecular weight of RefChem:1097591?
The molecular weight of RefChem:1097591 is 409.19 g/mol.
Where can I buy RefChem:1097591?
You can request a quote for RefChem:1097591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097591?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.