RefChem:326058
TL;DR: RefChem:326058 (CAS 105107-33-3) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-5-one
Also Known As: Benzo(6,7)cyclohept(1,2-b)-1,4-oxazin-3(2H)-one, 4,4a,5,6,7,11b-hexahydro-, trans-, trans-4,4a,5,6,7,11b-Hexahydrobenzo(6,7)cyclohept(1,2-b)-1,4-oxazin-3(2H)-one, (4aS,11bS)-4,4a,5,6,7,11b-Hexahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazin-3(2H)-one
Technical Specifications
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.11028 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.11028 Da |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| SMILES | C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCC(=O)N2 |
| InChIKey | OYVCGOXGFFKUBJ-AAEUAGOBSA-N |
Chemical Property Profile of RefChem:326058
Property Insights of RefChem:326058
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326058. With a topological polar surface area (TPSA) of 38.3 Ų, RefChem:326058 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326058 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:326058?
The CAS number of RefChem:326058 is 105107-33-3.
What is the molecular formula of RefChem:326058?
The molecular formula of RefChem:326058 is C13H15NO2.
What is the molecular weight of RefChem:326058?
The molecular weight of RefChem:326058 is 217.11028 g/mol.
Where can I buy RefChem:326058?
You can request a quote for RefChem:326058 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:326058?
Yes, CoreyChem provides custom synthesis services for RefChem:326058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.