13-Epicrispatine N-oxide
TL;DR: 13-Epicrispatine N-oxide (CAS 22715-28-2) is a chemical compound with molecular formula C16H23NO6 and molecular weight 325.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: 13-Epicrispatine N-oxide, 4-hydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione 11-oxide, 4-Hydroxy-3,4,5-trimethyl-11-oxo-4,5,10,11,12,13,13a,13b-octahydro-2H,8H-11lambda~5~-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
| Molecular Formula | C16H23NO6 |
|---|---|
| Molecular Weight | 325.15 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 325.15253 |
| Heavy Atoms | 23 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 22715-28-2 |
|---|---|
| SMILES | CC1C(=O)OCC2=CC[N+]3(C2C(CC3)OC(=O)C(C1(C)O)C)[O-] |
| InChIKey | RSLVVCXMPZNEFN-UHFFFAOYSA-N |
Product Overview
13-Epicrispatine N-oxide (CAS 22715-28-2), with molecular formula C16H23NO6 and molecular weight 325.15 g/mol. IUPAC: 5-hydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
Chemical Property Profile of 13-Epicrispatine N-oxide
Property Insights of 13-Epicrispatine N-oxide
The XLogP value of -0.3 indicates that 13-Epicrispatine N-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-Epicrispatine N-oxide. Following Lipinski's Rule of Five, 13-Epicrispatine N-oxide has 1 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 13-Epicrispatine N-oxide?
The CAS number of 13-Epicrispatine N-oxide is 22715-28-2.
What is the molecular formula of 13-Epicrispatine N-oxide?
The molecular formula of 13-Epicrispatine N-oxide is C16H23NO6.
What is the molecular weight of 13-Epicrispatine N-oxide?
The molecular weight of 13-Epicrispatine N-oxide is 325.15 g/mol.
Where can I buy 13-Epicrispatine N-oxide?
You can request a quote for 13-Epicrispatine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Epicrispatine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 13-Epicrispatine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.