n-Allyl-5-cyclopropylisoxazole-3-carboxamide
TL;DR: n-Allyl-5-cyclopropylisoxazole-3-carboxamide (CAS 135401-44-4) is a chemical compound with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclopropyl-N-prop-2-enyl-1,2-oxazole-3-carboxamide
Also Known As: ChemDiv2_005842, n-Allyl-5-cyclopropylisoxazole-3-carboxamide, IDI1_004557, 5-cyclopropyl-N-prop-2-enyl-1,2-oxazole-3-carboxamide
| Molecular Formula | C10H12N2O2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 1.4678 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.08987 |
| Heavy Atoms | 14 |
| Complexity | 352.7589 |
Chemical Identifiers
| CAS Number | 135401-44-4 |
|---|---|
| SMILES | C=CCNC(=O)C1=NOC(=C1)C2CC2 |
Product Overview
n-Allyl-5-cyclopropylisoxazole-3-carboxamide (CAS 135401-44-4), with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol. IUPAC: 5-cyclopropyl-N-prop-2-enyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of n-Allyl-5-cyclopropylisoxazole-3-carboxamide
Property Insights of n-Allyl-5-cyclopropylisoxazole-3-carboxamide
The XLogP value of 1.4678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Allyl-5-cyclopropylisoxazole-3-carboxamide. With a topological polar surface area (TPSA) of 55.13 Ų, n-Allyl-5-cyclopropylisoxazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Allyl-5-cyclopropylisoxazole-3-carboxamide 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 n-Allyl-5-cyclopropylisoxazole-3-carboxamide?
The CAS number of n-Allyl-5-cyclopropylisoxazole-3-carboxamide is 135401-44-4.
What is the molecular formula of n-Allyl-5-cyclopropylisoxazole-3-carboxamide?
The molecular formula of n-Allyl-5-cyclopropylisoxazole-3-carboxamide is C10H12N2O2.
What is the molecular weight of n-Allyl-5-cyclopropylisoxazole-3-carboxamide?
The molecular weight of n-Allyl-5-cyclopropylisoxazole-3-carboxamide is 192.09 g/mol.
Where can I buy n-Allyl-5-cyclopropylisoxazole-3-carboxamide?
You can request a quote for n-Allyl-5-cyclopropylisoxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Allyl-5-cyclopropylisoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for n-Allyl-5-cyclopropylisoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.