Thevefolin
TL;DR: Thevefolin (CAS 34302-25-5) 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,5S,10S,13R,14S,17R)-3-[(2S,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: Thevefolin, Neriifolin, neriifolin, (3beta,5alpha)-isomer, 5-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-, 3-[(3S,5S,10S,13R,14S,17R)-3-[(2S,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
| 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 | 34302-25-5 |
|---|---|
| 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-XAFPKRIKSA-N |
Product Overview
Thevefolin (CAS 34302-25-5), with molecular formula C30H46O8 and molecular weight 534.32 g/mol. IUPAC: 3-[(3S,5S,10S,13R,14S,17R)-3-[(2S,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 Thevefolin
Property Insights of Thevefolin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thevefolin. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thevefolin. Following Lipinski's Rule of Five, Thevefolin 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 Thevefolin?
The CAS number of Thevefolin is 34302-25-5.
What is the molecular formula of Thevefolin?
The molecular formula of Thevefolin is C30H46O8.
What is the molecular weight of Thevefolin?
The molecular weight of Thevefolin is 534.32 g/mol.
Where can I buy Thevefolin?
You can request a quote for Thevefolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thevefolin?
Yes, KEHONG BIO provides custom synthesis services for Thevefolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.