RefChem:326059
TL;DR: RefChem:326059 (CAS 105124-42-3) is a chemical compound with molecular formula C13H16ClNO and molecular weight 237.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,7S)-14-chloro-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
Also Known As: trans-2,3,4,4a,5,6,7,11b-Octahydro-10-chlorobenzo(6,7)cyclohept(1,2-b)-1,4-oxazine, Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-10-chloro-, trans-, 10-Chloro-2,3,4,4a,5,6,7,11b-octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazine, (4aS,11bS)-10-Chloro-2,3,4,4a,5,6,7,11b-octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazine
Technical Specifications
| Molecular Formula | C13H16ClNO |
| Molecular Weight | 237.09204 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.09204 Da |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
| SMILES | C1C[C@H]2[C@H](C3=C(C1)C=CC(=C3)Cl)OCCN2 |
| InChIKey | GEEFOJZKWSJTNT-STQMWFEESA-N |
Chemical Property Profile of RefChem:326059
Property Insights of RefChem:326059
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326059. With a topological polar surface area (TPSA) of 21.3 Ų, RefChem:326059 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326059 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:326059?
The CAS number of RefChem:326059 is 105124-42-3.
What is the molecular formula of RefChem:326059?
The molecular formula of RefChem:326059 is C13H16ClNO.
What is the molecular weight of RefChem:326059?
The molecular weight of RefChem:326059 is 237.09204 g/mol.
Where can I buy RefChem:326059?
You can request a quote for RefChem:326059 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:326059?
Yes, CoreyChem provides custom synthesis services for RefChem:326059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.