1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1)
TL;DR: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1) (CAS 56071-34-2) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 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;(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-propan-2-ylazanium
Also Known As: 5-Isopropylamino-7-methyl-2,3,4,5-tetrahydro-1-benzoxepine fumarate, N-Isopropyl-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine fumarate (1:1), 1-BENZOXEPIN-5-AMINE, 2,3,4,5-TETRAHYDRO-N-ISOPROPYL-7-METHYL-, FUMARATE (1:1), (E)-4-hydroxy-4-oxobut-2-enoate; (7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-propan-2-ylazanium, RefChem:1054935
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 0.55762 |
| Topological Polar Surface Area | 103.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 579.07196 |
Chemical Identifiers
| CAS Number | 56071-34-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCCC2[NH2+]C(C)C.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1) (CAS 56071-34-2), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: (E)-4-hydroxy-4-oxobut-2-enoate;(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-propan-2-ylazanium.
Chemical Property Profile of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1)
Property Insights of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1)
The XLogP value of 0.55762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, 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-7-methyl-, fumarate (1:1). Following Lipinski's Rule of Five, 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, 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-7-methyl-, fumarate (1:1)?
The CAS number of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1) is 56071-34-2.
What is the molecular formula of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1)?
The molecular formula of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1) is C18H25NO5.
What is the molecular weight of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1)?
The molecular weight of 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1) is 335.17 g/mol.
Where can I buy 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1)?
You can request a quote for 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, 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-7-methyl-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.