Neriifolin
TL;DR: Neriifolin (CAS 466-07-9) is a chemical compound with molecular formula C30H46O8 and molecular weight 534.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Neriifolin, Honghelin, Digitoxigenin + thevetose, Digitoxigenin + thevetose [German], 4-18-00-01486 (Beilstein Handbook Reference)
| Molecular Formula | C30H46O8 |
|---|---|
| Molecular Weight | 534.32 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.3193 |
| Heavy Atoms | 38 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 466-07-9 |
|---|---|
| SMILES | CC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O |
| InChIKey | VPUNMTHWNSJUOG-VUAWFBFVSA-N |
Product Overview
Neriifolin (CAS 466-07-9), with molecular formula C30H46O8 and molecular weight 534.32 g/mol. IUPAC: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Neriifolin
Property Insights of Neriifolin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neriifolin. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neriifolin. Following Lipinski's Rule of Five, Neriifolin has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neriifolin?
The CAS number of Neriifolin is 466-07-9.
What is the molecular formula of Neriifolin?
The molecular formula of Neriifolin is C30H46O8.
What is the molecular weight of Neriifolin?
The molecular weight of Neriifolin is 534.32 g/mol.
Where can I buy Neriifolin?
You can request a quote for Neriifolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neriifolin?
Yes, KEHONG BIO provides custom synthesis services for Neriifolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.