RefChem:1098975
TL;DR: RefChem:1098975 (CAS 39890-17-0) is a chemical compound with molecular formula C25H27NO7 and molecular weight 453.18 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)pyrrolidine
Also Known As: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(1-pyrrolidinyl)methyl-, maleate, (E)-but-2-enedioic acid; 1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine, Pyrrolidine, 1-(spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolan]-4'-ylmethyl)-, (Z)-2-butenedioate (1:1), RefChem:1098975
| Molecular Formula | C25H27NO7 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 3.0031 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.17874 |
| Heavy Atoms | 33 |
| Complexity | 965.4204 |
Chemical Identifiers
| CAS Number | 39890-17-0 |
|---|---|
| SMILES | C1CCN(C1)CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098975 (CAS 39890-17-0), with molecular formula C25H27NO7 and molecular weight 453.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine.
Chemical Property Profile of RefChem:1098975
Property Insights of RefChem:1098975
The XLogP value of 3.0031 indicates that RefChem:1098975 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:1098975. Following Lipinski's Rule of Five, RefChem:1098975 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:1098975?
The CAS number of RefChem:1098975 is 39890-17-0.
What is the molecular formula of RefChem:1098975?
The molecular formula of RefChem:1098975 is C25H27NO7.
What is the molecular weight of RefChem:1098975?
The molecular weight of RefChem:1098975 is 453.18 g/mol.
Where can I buy RefChem:1098975?
You can request a quote for RefChem:1098975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098975?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.