2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan
TL;DR: 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan (CAS 117016-26-9) is a chemical compound with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,8S,15S,16R)-8,16-dimethyl-14-oxa-11-azatetracyclo[6.6.2.02,7.011,15]hexadeca-2(7),3,5-trien-5-ol;hydrochloride
Also Known As: HMEEB, methyl 2-allyltrifluorolactate, 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan, 2/'-hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan, (4aS-(4aalpha,5alpha,6beta,10balpha))-2,3,4a,5,6,10b-Hexahydro-5,6-dimethyl-4,6-ethano-4H-naphth(1,2-b)-1,4-oxazin-8-ol hydrochloride
| Molecular Formula | C16H22ClNO2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 2.867 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.1339 |
| Heavy Atoms | 20 |
| Complexity | 535.2082 |
Chemical Identifiers
| CAS Number | 117016-26-9 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@@H]3C4=C([C@]1(CCN2CCO3)C)C=C(C=C4)O.Cl |
Product Overview
2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan (CAS 117016-26-9), with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol. IUPAC: (1S,8S,15S,16R)-8,16-dimethyl-14-oxa-11-azatetracyclo[6.6.2.02,7.011,15]hexadeca-2(7),3,5-trien-5-ol;hydrochloride.
Chemical Property Profile of 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan
Property Insights of 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan
The XLogP value of 2.867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan. With a topological polar surface area (TPSA) of 32.7 Ų, 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan 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 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan?
The CAS number of 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan is 117016-26-9.
What is the molecular formula of 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan?
The molecular formula of 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan is C16H22ClNO2.
What is the molecular weight of 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan?
The molecular weight of 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan is 295.13 g/mol.
Where can I buy 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan?
You can request a quote for 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan?
Yes, KEHONG BIO provides custom synthesis services for 2'-Hydroxy-5,9-dimethyl-8,2-epoxyethano-6,7-benzomorphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.