4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole
TL;DR: 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole (CAS 1023532-71-9) is a chemical compound with molecular formula C21H17N3O and molecular weight 327.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-5-methyl-3-phenyl-1,2-oxazole
Also Known As: 4-(3,4-DIHYDROBETA-CARBOLINYL)-5-METHYL-3-PHENYLISOXAZOLE, 4-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-5-methyl-3-phenyl-1,2-oxazole, 4-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-5-methyl-3-phenyl-isoxazole, 4-(4,9-Dihydro-3H-pyrido[3,4-b]indol-1-yl)-5-methyl-3-phenylisoxazole, 5-methyl-3-phenyl-4-{3H,4H,9H-pyrido[3,4-b]indol-1-yl}-1,2-oxazole
| Molecular Formula | C21H17N3O |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 4.52482 |
| Topological Polar Surface Area | 54.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.13718 |
| Heavy Atoms | 25 |
| Complexity | 1102.8412 |
Chemical Identifiers
| CAS Number | 1023532-71-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C3=NCCC4=C3NC5=CC=CC=C45 |
Product Overview
4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole (CAS 1023532-71-9), with molecular formula C21H17N3O and molecular weight 327.14 g/mol. IUPAC: 4-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-5-methyl-3-phenyl-1,2-oxazole.
Chemical Property Profile of 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole
Property Insights of 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole
The XLogP value of 4.52482 indicates that 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.18 Ų, 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole has 1 hydrogen bond donor(s) and 3 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-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole?
The CAS number of 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole is 1023532-71-9.
What is the molecular formula of 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole?
The molecular formula of 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole is C21H17N3O.
What is the molecular weight of 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole?
The molecular weight of 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole is 327.14 g/mol.
Where can I buy 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole?
You can request a quote for 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dihydrobeta-carbolinyl)-5-methyl-3-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.