![5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005095-98-6.webp)
5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005095-98-6) is a chemical compound with molecular formula C24H29N3O3 and molecular weight 407.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-3-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-butyl-3-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F3115-0017, 5-butyl-3-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-butyl-3-(4-dimethylaminophenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C24H29N3O3 |
|---|---|
| Molecular Weight | 407.22 g/mol |
| LogP | 3.70762 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.2209 |
| Heavy Atoms | 30 |
| Complexity | 940.9673 |
Chemical Identifiers
| CAS Number | 1005095-98-6 |
|---|---|
| SMILES | CCCCN1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3C)C4=CC=C(C=C4)N(C)C |
Product Overview
5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005095-98-6), with molecular formula C24H29N3O3 and molecular weight 407.22 g/mol. IUPAC: 5-butyl-3-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 3.70762 indicates that 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 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 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005095-98-6.
What is the molecular formula of 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C24H29N3O3.
What is the molecular weight of 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 407.22 g/mol.
Where can I buy 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-butyl-3-(4-(dimethylamino)phenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.