5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1
TL;DR: 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 (CAS 76014-78-3) is a chemical compound with molecular formula C25H25NO6 and molecular weight 435.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(6H-[1]benzofuro[2,3-c][1]benzoxepin-12-ylidene)-N,N-dimethylpropan-1-amine;(E)-but-2-enedioic acid
Also Known As: DAPBFB, EINECS 278-360-5, 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1, [3-benzofuro[2,3-c][1]benzoxepin-12(6H)-ylidenepropyl]dimethylammonium hydrogen fumarate, 5-(3-Dimethylaminopropylidene)benzofuro(2,3-c)(1)benzoxepin fumarate
| Molecular Formula | C25H25NO6 |
|---|---|
| Molecular Weight | 435.17 g/mol |
| LogP | 4.4204 |
| Topological Polar Surface Area | 100.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.16818 |
| Heavy Atoms | 32 |
| Complexity | 1156.1438 |
Chemical Identifiers
| CAS Number | 76014-78-3 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C2=CC=CC=C2OCC3=C1C4=CC=CC=C4O3.C(=C/C(=O)O)\C(=O)O |
Product Overview
5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 (CAS 76014-78-3), with molecular formula C25H25NO6 and molecular weight 435.17 g/mol. IUPAC: (3Z)-3-(6H-[1]benzofuro[2,3-c][1]benzoxepin-12-ylidene)-N,N-dimethylpropan-1-amine;(E)-but-2-enedioic acid.
Chemical Property Profile of 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1
Property Insights of 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1
The XLogP value of 4.4204 indicates that 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1. Following Lipinski's Rule of Five, 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 has 2 hydrogen bond donor(s) and 5 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 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1?
The CAS number of 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 is 76014-78-3.
What is the molecular formula of 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1?
The molecular formula of 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 is C25H25NO6.
What is the molecular weight of 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1?
The molecular weight of 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 is 435.17 g/mol.
Where can I buy 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1?
You can request a quote for 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Dimethylamino propyliden)-benzofuro(2,3-c)benzoxepin-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.