RefChem:1098989
TL;DR: RefChem:1098989 (CAS 39890-18-1) is a chemical compound with molecular formula C26H29NO7 and molecular weight 467.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine
Also Known As: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-piperidinomethyl-, maleate, (E)-but-2-enedioic acid; 1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine, Piperidine, 1-(spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolan]-4'-ylmethyl)-, (Z)-2-butenedioate (1:1), RefChem:1098989
| Molecular Formula | C26H29NO7 |
|---|---|
| Molecular Weight | 467.19 g/mol |
| LogP | 3.3932 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.1944 |
| Heavy Atoms | 34 |
| Complexity | 981.4496 |
Chemical Identifiers
| CAS Number | 39890-18-1 |
|---|---|
| SMILES | C1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098989 (CAS 39890-18-1), with molecular formula C26H29NO7 and molecular weight 467.19 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine.
Chemical Property Profile of RefChem:1098989
Property Insights of RefChem:1098989
The XLogP value of 3.3932 indicates that RefChem:1098989 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098989. Following Lipinski's Rule of Five, RefChem:1098989 has 2 hydrogen bond donor(s) and 6 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:1098989?
The CAS number of RefChem:1098989 is 39890-18-1.
What is the molecular formula of RefChem:1098989?
The molecular formula of RefChem:1098989 is C26H29NO7.
What is the molecular weight of RefChem:1098989?
The molecular weight of RefChem:1098989 is 467.19 g/mol.
Where can I buy RefChem:1098989?
You can request a quote for RefChem:1098989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098989?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.