RefChem:326053
TL;DR: RefChem:326053 (CAS 105124-39-8) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,7S)-13,14-dimethoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene
Also Known As: 1-P-Tolyl-Piperidin-4-One, Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-9,10-dimethoxy-, (E)-, (E)-2,3,4,4a,5,6,7,11b-Octahydro-9,10-dimethoxybenzo(6,7)cyclohept(1,2-b)(1,4)oxazine, (4aS,11bS)-9,10-dimethoxy-2,3,4,4a,5,6,7,11b-octahydrobenzo[1,2]cyclohepta[4,6-c][1,4]oxazine, (4aS,11bS)-9,10-Dimethoxy-2,3,4,4a,5,6,7,11b-octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazine
Technical Specifications
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.15213 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.15213 Da |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
| SMILES | COC1=C(C=C2[C@H]3[C@H](CCCC2=C1)NCCO3)OC |
| InChIKey | ZJDBJTYCZVEKEL-WFASDCNBSA-N |
Chemical Property Profile of RefChem:326053
Property Insights of RefChem:326053
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326053. With a topological polar surface area (TPSA) of 39.7 Ų, RefChem:326053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326053 has 1 hydrogen bond donor(s) and 4 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:326053?
The CAS number of RefChem:326053 is 105124-39-8.
What is the molecular formula of RefChem:326053?
The molecular formula of RefChem:326053 is C15H21NO3.
What is the molecular weight of RefChem:326053?
The molecular weight of RefChem:326053 is 263.15213 g/mol.
Where can I buy RefChem:326053?
You can request a quote for RefChem:326053 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:326053?
Yes, CoreyChem provides custom synthesis services for RefChem:326053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.