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Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-
TL;DR: Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- (CAS 13054-49-4) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,8,9-tetrahydrocycloocta[c][1,2]oxazol-3-amine
Also Known As: CYCLOOCT[C]ISOXAZOLE, 3-AMINO-4,5,8,9-TETRAHYDRO-, Cyclooct[c]isoxazole, 3-amino-4,5,8,9-tetrahydro- (7CI,8CI)
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 13054-49-4 |
|---|---|
| SMILES | C1CC2=C(ON=C2CCC=C1)N |
| InChIKey | VYOVLIPTRLLMFI-UHFFFAOYSA-N |
Product Overview
Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- (CAS 13054-49-4), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: 4,5,8,9-tetrahydrocycloocta[c][1,2]oxazol-3-amine.
Chemical Property Profile of Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-
Property Insights of Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-. With a topological polar surface area (TPSA) of 52.1 Ų, Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- 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 Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-?
The CAS number of Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- is 13054-49-4.
What is the molecular formula of Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-?
The molecular formula of Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- is C9H12N2O.
What is the molecular weight of Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-?
The molecular weight of Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- is 164.09 g/mol.
Where can I buy Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-?
You can request a quote for Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for Cyclooct[C]isoxazole, 3-amino-4,5,8,9-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.