![3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole structure](/static/products/6030/603067-27-2.webp)
3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
TL;DR: 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole (CAS 603067-27-2) is a chemical compound with molecular formula C9H14N2O and molecular weight 166.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
Also Known As: 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole, 3-(2-methylpropyl)-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole, 8-(2-methylpropyl)-6-oxa-4,7-diazabicyclo[3.3.0]octa-4,8-diene, 4H-PYRROLO[3,2-D]ISOXAZOLE, 5,6-DIHYDRO-3-(2-METHYLPROPYL)-, 4H-Pyrrolo[3,2-d]isoxazole, 5,6-dihydro-3-(2-methylpropyl)- (9CI)
| Molecular Formula | C9H14N2O |
|---|---|
| Molecular Weight | 166.11 g/mol |
| LogP | 1.8411 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.11061 |
| Heavy Atoms | 12 |
| Complexity | 278.05594 |
Chemical Identifiers
| CAS Number | 603067-27-2 |
|---|---|
| SMILES | CC(C)CC1=NOC2=C1CCN2 |
Product Overview
3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole (CAS 603067-27-2), with molecular formula C9H14N2O and molecular weight 166.11 g/mol. IUPAC: 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
Chemical Property Profile of 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
Property Insights of 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
The XLogP value of 1.8411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole. With a topological polar surface area (TPSA) of 38.06 Ų, 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole 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 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The CAS number of 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is 603067-27-2.
What is the molecular formula of 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The molecular formula of 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is C9H14N2O.
What is the molecular weight of 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The molecular weight of 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is 166.11 g/mol.
Where can I buy 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
You can request a quote for 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Isobutyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.