1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)
TL;DR: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1) (CAS 56071-32-0) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-hydroxy-4-oxobut-2-enoate;propan-2-yl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium
Also Known As: 5-Isopropylamino-2,3,4,5-tetrahydro-1-benzoxepine fumarate, N-Isopropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine fumarate (1:1), 1-BENZOXEPIN-5-AMINE, 2,3,4,5-TETRAHYDRO-N-ISOPROPYL-, FUMARATE (1:1), (E)-4-hydroxy-4-oxobut-2-enoate; propan-2-yl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium, RefChem:1054934
| Molecular Formula | C17H23NO5 |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 0.2492 |
| Topological Polar Surface Area | 103.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.15762 |
| Heavy Atoms | 23 |
| Complexity | 537.6696 |
Chemical Identifiers
| CAS Number | 56071-32-0 |
|---|---|
| SMILES | CC(C)[NH2+]C1CCCOC2=CC=CC=C12.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1) (CAS 56071-32-0), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: (E)-4-hydroxy-4-oxobut-2-enoate;propan-2-yl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium.
Chemical Property Profile of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)
Property Insights of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)
The XLogP value of 0.2492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1). The TPSA of 103.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1). Following Lipinski's Rule of Five, 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1) has 2 hydrogen bond donor(s) and 4 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-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)?
The CAS number of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1) is 56071-32-0.
What is the molecular formula of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)?
The molecular formula of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1) is C17H23NO5.
What is the molecular weight of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)?
The molecular weight of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1) is 321.16 g/mol.
Where can I buy 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)?
You can request a quote for 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (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-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.