Raucaffricine
TL;DR: Raucaffricine (CAS 31282-07-2) is a chemical compound with molecular formula C27H32N2O8 and molecular weight 512.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,10S,12R,14R,16S,18R)-13-ethylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
Also Known As: Raucaffricine
| Molecular Formula | C27H32N2O8 |
|---|---|
| Molecular Weight | 512.22 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.2159 |
| Heavy Atoms | 37 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 31282-07-2 |
|---|---|
| SMILES | CC=C1[C@@H]2C[C@H]3C4=NC5=CC=CC=C5[C@]46C[C@@H](C2[C@H]6OC(=O)C)N3[C@@H]1O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | OSJPGOJPRNTSHP-MJQGFIELSA-N |
Product Overview
Raucaffricine (CAS 31282-07-2), with molecular formula C27H32N2O8 and molecular weight 512.22 g/mol. IUPAC: [(1R,10S,12R,14R,16S,18R)-13-ethylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate.
Chemical Property Profile of Raucaffricine
Property Insights of Raucaffricine
The XLogP value of -0.2 indicates that Raucaffricine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Raucaffricine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Raucaffricine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Raucaffricine?
The CAS number of Raucaffricine is 31282-07-2.
What is the molecular formula of Raucaffricine?
The molecular formula of Raucaffricine is C27H32N2O8.
What is the molecular weight of Raucaffricine?
The molecular weight of Raucaffricine is 512.22 g/mol.
Where can I buy Raucaffricine?
You can request a quote for Raucaffricine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raucaffricine?
Yes, KEHONG BIO provides custom synthesis services for Raucaffricine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.