3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate
TL;DR: 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate (CAS 103785-34-8) is a chemical compound with molecular formula C28H33N3O5 and molecular weight 491.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylbutyl)-1,2-oxazol-5-amine;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate, 5-Isoxazolamine, 3-phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-, (E)-2-butenedioate (1:1), 5-ISOXAZOLAMINE, 3-PHENYL-N-(PHENYLMETHYL)-N-(3-(1-PYRROLIDINYL)BUTYL)-, (E)-2-B, N-benzyl-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylbutyl)-1,2-oxazol-5-amine; (E)-4-hydroxy-4-oxobut-2-enoate, RefChem:1073039
| Molecular Formula | C28H33N3O5 |
|---|---|
| Molecular Weight | 491.24 g/mol |
| LogP | 2.1826 |
| Topological Polar Surface Area | 111.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.24203 |
| Heavy Atoms | 36 |
| Complexity | 1092.4834 |
Chemical Identifiers
| CAS Number | 103785-34-8 |
|---|---|
| SMILES | CC(CCN(CC1=CC=CC=C1)C2=CC(=NO2)C3=CC=CC=C3)[NH+]4CCCC4.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate (CAS 103785-34-8), with molecular formula C28H33N3O5 and molecular weight 491.24 g/mol. IUPAC: N-benzyl-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylbutyl)-1,2-oxazol-5-amine;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate
Property Insights of 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate
The XLogP value of 2.1826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate. The TPSA of 111.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate. Following Lipinski's Rule of Five, 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate has 2 hydrogen bond donor(s) and 6 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 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate?
The CAS number of 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate is 103785-34-8.
What is the molecular formula of 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate?
The molecular formula of 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate is C28H33N3O5.
What is the molecular weight of 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate?
The molecular weight of 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate is 491.24 g/mol.
Where can I buy 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate?
You can request a quote for 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.