![METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE structure](/static/products/830/83022-22-4.png)
METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE
TL;DR: METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE (CAS 83022-22-4) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (7S,8S)-7,8-dihydroxy-2-phenyl-3-oxa-2,5-diazabicyclo[2.2.2]octane-5-carboxylate
Also Known As: METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE, methyl (5S,6S)-5,6-dihydroxy-2-phenyl-3-oxa-2,8-diazabicyclo[2.2.2]octane-8-carboxylate
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 83022-22-4 |
|---|---|
| SMILES | COC(=O)N1CC2[C@@H]([C@@H](C1ON2C3=CC=CC=C3)O)O |
| InChIKey | ZMKVMCDIHBSLEY-YECOWLKZSA-N |
Product Overview
METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE (CAS 83022-22-4), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: methyl (7S,8S)-7,8-dihydroxy-2-phenyl-3-oxa-2,5-diazabicyclo[2.2.2]octane-5-carboxylate.
Chemical Property Profile of METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE
Property Insights of METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE. Following Lipinski's Rule of Five, METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE has 2 hydrogen bond donor(s) and 6 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 METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE?
The CAS number of METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE is 83022-22-4.
What is the molecular formula of METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE?
The molecular formula of METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE is C13H16N2O5.
What is the molecular weight of METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE?
The molecular weight of METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE is 280.11 g/mol.
Where can I buy METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE?
You can request a quote for METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.