RefChem:326047
TL;DR: RefChem:326047 (CAS 105124-46-7) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,7S)-14-methyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
Also Known As: (E)-2,3,4,4a,5,6,7,11b-Octahydro-10-methylbenzo(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-methyl-, (E)-, 10-Methyl-2,3,4,4a,5,6,7,11b-octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazine, (4aS,11bS)-10-Methyl-2,3,4,4a,5,6,7,11b-octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazine, RefChem:326047
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 2.36082 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 388.32178 |
Chemical Identifiers
| CAS Number | 105124-46-7 |
|---|---|
| SMILES | CC1=CC2=C(CCC[C@H]3[C@H]2OCCN3)C=C1 |
Product Overview
RefChem:326047 (CAS 105124-46-7), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: (2S,7S)-14-methyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene.
Chemical Property Profile of RefChem:326047
Property Insights of RefChem:326047
The XLogP value of 2.36082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326047. With a topological polar surface area (TPSA) of 21.26 Ų, RefChem:326047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326047 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
Frequently Asked Questions
What is the CAS number of RefChem:326047?
The CAS number of RefChem:326047 is 105124-46-7.
What is the molecular formula of RefChem:326047?
The molecular formula of RefChem:326047 is C14H19NO.
What is the molecular weight of RefChem:326047?
The molecular weight of RefChem:326047 is 217.15 g/mol.
Where can I buy RefChem:326047?
You can request a quote for RefChem:326047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326047?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.