16-Episarpagine
TL;DR: 16-Episarpagine (CAS 102490-01-7) is a chemical compound with molecular formula C19H22N2O2 and molecular weight 310.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,12S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
Also Known As: 16-Episarpagine, 16-epi-sarpagine, Sarpagan-10,17-diol, (16S)-, (1S,12S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
Technical Specifications
| Molecular Formula | C19H22N2O2 |
| Molecular Weight | 310.16812 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 59.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.16812 Da |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
| SMILES | C/C=C\1/CN2[C@H]3CC1C([C@@H]2CC4=C3NC5=C4C=C(C=C5)O)CO |
| InChIKey | VTVQHYQGTTVKDE-LUMHSOHMSA-N |
Chemical Property Profile of 16-Episarpagine
Property Insights of 16-Episarpagine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Episarpagine. With a topological polar surface area (TPSA) of 59.5 Ų, 16-Episarpagine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Episarpagine has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 16-Episarpagine?
The CAS number of 16-Episarpagine is 102490-01-7.
What is the molecular formula of 16-Episarpagine?
The molecular formula of 16-Episarpagine is C19H22N2O2.
What is the molecular weight of 16-Episarpagine?
The molecular weight of 16-Episarpagine is 310.16812 g/mol.
Where can I buy 16-Episarpagine?
You can request a quote for 16-Episarpagine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 16-Episarpagine?
Yes, CoreyChem provides custom synthesis services for 16-Episarpagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.