![1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) structure](/static/products/3452/34522-46-8.webp)
1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)
TL;DR: 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) (CAS 34522-46-8) 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.
3-(12H-[1]benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethylpropan-1-amine;but-2-enedioic acid
Also Known As: 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)
| Molecular Formula | C25H25NO6 |
|---|---|
| Molecular Weight | 435.17 g/mol |
| LogP | 4.42 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.16818 |
| Heavy Atoms | 32 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 34522-46-8 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2OCC3=C1OC4=CC=CC=C34.C(=CC(=O)O)C(=O)O |
| InChIKey | DQHRYCOJUKGIDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) (CAS 34522-46-8), with molecular formula C25H25NO6 and molecular weight 435.17 g/mol. IUPAC: 3-(12H-[1]benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethylpropan-1-amine;but-2-enedioic acid.
Chemical Property Profile of 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)
Property Insights of 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)
The XLogP value of 4.42 indicates that 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 7 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 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)?
The CAS number of 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) is 34522-46-8.
What is the molecular formula of 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)?
The molecular formula of 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) is C25H25NO6.
What is the molecular weight of 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)?
The molecular weight of 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) is 435.17 g/mol.
Where can I buy 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)?
You can request a quote for 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(2E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.