Difficidin
TL;DR: Difficidin (CAS 95152-88-8) is a chemical compound with molecular formula C31H45O6P and molecular weight 544.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7,19-dimethyl-2-(3-methylhexa-3,5-dienyl)-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
Also Known As: Difficidin, [7,19-Dimethyl-2-(3-methylhexa-3,5-dienyl)-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate, 7,19-Dimethyl-20-methylene-2-(3-methylhexa-3,5-dien-1-yl)-22-oxooxacyclodocosa-4,6,12,14,16-pentaen-8-yl dihydrogen phosphate, [(4Z,6Z,12Z,14Z,16Z)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate, 5,17-DIMETHYL-4-METHYLENE-22-(3-METHYL-3,5-HEXADIENYL)-16-(PHOSPHONOOXY)-OXACYCLODOCOSA-7,9,11,17,19-PENTAEN-2-ONE
| Molecular Formula | C31H45O6P |
|---|---|
| Molecular Weight | 544.30 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.29535 |
| Heavy Atoms | 38 |
| Complexity | 992.0 |
Chemical Identifiers
| CAS Number | 95152-88-8 |
|---|---|
| SMILES | CC1CC=CC=CC=CCCCC(C(=CC=CCC(OC(=O)CC1=C)CCC(=CC=C)C)C)OP(=O)(O)O |
| InChIKey | ZUWUQYGHRURWCL-UHFFFAOYSA-N |
Product Overview
Difficidin (CAS 95152-88-8), with molecular formula C31H45O6P and molecular weight 544.30 g/mol. IUPAC: [7,19-dimethyl-2-(3-methylhexa-3,5-dienyl)-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate.
Chemical Property Profile of Difficidin
Property Insights of Difficidin
The XLogP value of 7.2 indicates that Difficidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Difficidin. Following Lipinski's Rule of Five, Difficidin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Difficidin?
The CAS number of Difficidin is 95152-88-8.
What is the molecular formula of Difficidin?
The molecular formula of Difficidin is C31H45O6P.
What is the molecular weight of Difficidin?
The molecular weight of Difficidin is 544.30 g/mol.
Where can I buy Difficidin?
You can request a quote for Difficidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difficidin?
Yes, KEHONG BIO provides custom synthesis services for Difficidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.