diplodiatoxin
TL;DR: diplodiatoxin (CAS 41060-01-9) is a chemical compound with molecular formula C18H28O4 and molecular weight 308.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4aS)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-2-carboxylic acid
Also Known As: diplodiatoxin, 1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid, (1S,2R,4aS)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-2-carboxylic acid, (1S,2R,4aS)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid, 2-Naphthalenecarboxylic acid, 1,2,4a,5,6,7,8,8a-octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-, (1.alpha.,2.alpha.,4a.beta.,6.alpha.,8.alpha.,8a.alpha.)-()-
| Molecular Formula | C18H28O4 |
|---|---|
| Molecular Weight | 308.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.19876 |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 41060-01-9 |
|---|---|
| SMILES | CC1C[C@H]2C=C([C@H]([C@@](C2C(C1)C)(C)C(=O)CCO)C(=O)O)C |
| InChIKey | SFTQDPVLDKOILY-CSVHMLKNSA-N |
Product Overview
diplodiatoxin (CAS 41060-01-9), with molecular formula C18H28O4 and molecular weight 308.20 g/mol. IUPAC: (1S,2R,4aS)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-2-carboxylic acid.
Chemical Property Profile of diplodiatoxin
Property Insights of diplodiatoxin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diplodiatoxin. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for diplodiatoxin. Following Lipinski's Rule of Five, diplodiatoxin has 2 hydrogen bond donor(s) and 4 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 diplodiatoxin?
The CAS number of diplodiatoxin is 41060-01-9.
What is the molecular formula of diplodiatoxin?
The molecular formula of diplodiatoxin is C18H28O4.
What is the molecular weight of diplodiatoxin?
The molecular weight of diplodiatoxin is 308.20 g/mol.
Where can I buy diplodiatoxin?
You can request a quote for diplodiatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diplodiatoxin?
Yes, KEHONG BIO provides custom synthesis services for diplodiatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.