4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate
TL;DR: 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate (CAS 40400-36-0) is a chemical compound with molecular formula C25H30ClNO6 and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8-chloro-5-hydroxy-4-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate, 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-4-phenyl-, (Z)-2-butenedioate (1:1) (salt), 1-BENZOXEPIN-5-OL, 2,3,4,5-TETRAHYDRO-8-CHLORO-5-(3-(DIMETHYLAMINO)PROPYL)-4-PHE, 3-(8-chloro-5-hydroxy-4-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1054938
| Molecular Formula | C25H30ClNO6 |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 1.3957 |
| Topological Polar Surface Area | 111.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.17618 |
| Heavy Atoms | 33 |
| Complexity | 946.62445 |
Chemical Identifiers
| CAS Number | 40400-36-0 |
|---|---|
| SMILES | C[NH+](C)CCCC1(C(CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate (CAS 40400-36-0), with molecular formula C25H30ClNO6 and molecular weight 475.18 g/mol. IUPAC: 3-(8-chloro-5-hydroxy-4-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate
Property Insights of 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate
The XLogP value of 1.3957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate. The TPSA of 111.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate. Following Lipinski's Rule of Five, 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate has 3 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 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate?
The CAS number of 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate is 40400-36-0.
What is the molecular formula of 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate?
The molecular formula of 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate is C25H30ClNO6.
What is the molecular weight of 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate?
The molecular weight of 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate is 475.18 g/mol.
Where can I buy 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate?
You can request a quote for 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.