Epoxyagroclavine
TL;DR: Epoxyagroclavine (CAS 87397-89-5) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,5R,8R)-5,7-dimethyl-4-oxa-7,12-diazapentacyclo[8.6.1.02,8.03,5.013,17]heptadeca-1(17),10,13,15-tetraene
Also Known As: Epoxyagroclavine, KST-1A8668, (8, A,9, A,10
| Molecular Formula | C16H18N2O |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 31.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.1419 |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 87397-89-5 |
|---|---|
| SMILES | C[C@@]12CN([C@@H]3CC4=CNC5=CC=CC(=C45)[C@@H]3[C@@H]1O2)C |
| InChIKey | WASFVUNJIDBCHV-SYAUCNOPSA-N |
Product Overview
Epoxyagroclavine (CAS 87397-89-5), with molecular formula C16H18N2O and molecular weight 254.14 g/mol. IUPAC: (2S,3S,5R,8R)-5,7-dimethyl-4-oxa-7,12-diazapentacyclo[8.6.1.02,8.03,5.013,17]heptadeca-1(17),10,13,15-tetraene.
Chemical Property Profile of Epoxyagroclavine
Property Insights of Epoxyagroclavine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epoxyagroclavine. With a topological polar surface area (TPSA) of 31.6 Ų, Epoxyagroclavine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epoxyagroclavine 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 Epoxyagroclavine?
The CAS number of Epoxyagroclavine is 87397-89-5.
What is the molecular formula of Epoxyagroclavine?
The molecular formula of Epoxyagroclavine is C16H18N2O.
What is the molecular weight of Epoxyagroclavine?
The molecular weight of Epoxyagroclavine is 254.14 g/mol.
Where can I buy Epoxyagroclavine?
You can request a quote for Epoxyagroclavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epoxyagroclavine?
Yes, KEHONG BIO provides custom synthesis services for Epoxyagroclavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.