6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate
TL;DR: 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate (CAS 52740-45-1) is a chemical compound with molecular formula C25H29NO7 and molecular weight 455.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;N-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)butan-1-amine
Also Known As: 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate, Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(butylamino)methyl-, maleate, (Z)-but-2-enedioic acid; N-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)butan-1-amine, Spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolane]-4'-methanamine, N-butyl-, (Z)-2-butenedioate (1:1), RefChem:1098984
| Molecular Formula | C25H29NO7 |
|---|---|
| Molecular Weight | 455.19 g/mol |
| LogP | 3.297 |
| Topological Polar Surface Area | 114.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1944 |
| Heavy Atoms | 33 |
| Complexity | 924.72565 |
Chemical Identifiers
| CAS Number | 52740-45-1 |
|---|---|
| SMILES | CCCCNCC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate (CAS 52740-45-1), with molecular formula C25H29NO7 and molecular weight 455.19 g/mol. IUPAC: (Z)-but-2-enedioic acid;N-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)butan-1-amine.
Chemical Property Profile of 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate
Property Insights of 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate
The XLogP value of 3.297 indicates that 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate. Following Lipinski's Rule of Five, 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate has 3 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 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate?
The CAS number of 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate is 52740-45-1.
What is the molecular formula of 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate?
The molecular formula of 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate is C25H29NO7.
What is the molecular weight of 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate?
The molecular weight of 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate is 455.19 g/mol.
Where can I buy 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate?
You can request a quote for 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate?
Yes, KEHONG BIO provides custom synthesis services for 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.