11,13-dihydroestafiatin
TL;DR: 11,13-dihydroestafiatin (CAS 75956-97-7) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,5S,6S,10R,12R,14S)-5,14-dimethyl-9-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
Also Known As: 11,13-dihydroestafiatin, (-)-11betaH,13-Dihydroestafiatin, J1.847.796C, (11S)-3, A,4
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 75956-97-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CCC(=C)[C@@H]3C[C@@H]4[C@]([C@@H]3[C@H]2OC1=O)(O4)C |
| InChIKey | BJRMCDRHKBUSDR-YWDFAVMRSA-N |
Product Overview
11,13-dihydroestafiatin (CAS 75956-97-7), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (1S,2S,5S,6S,10R,12R,14S)-5,14-dimethyl-9-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one.
Chemical Property Profile of 11,13-dihydroestafiatin
Property Insights of 11,13-dihydroestafiatin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,13-dihydroestafiatin. With a topological polar surface area (TPSA) of 38.8 Ų, 11,13-dihydroestafiatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11,13-dihydroestafiatin has 0 hydrogen bond donor(s) and 3 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 11,13-dihydroestafiatin?
The CAS number of 11,13-dihydroestafiatin is 75956-97-7.
What is the molecular formula of 11,13-dihydroestafiatin?
The molecular formula of 11,13-dihydroestafiatin is C15H20O3.
What is the molecular weight of 11,13-dihydroestafiatin?
The molecular weight of 11,13-dihydroestafiatin is 248.14 g/mol.
Where can I buy 11,13-dihydroestafiatin?
You can request a quote for 11,13-dihydroestafiatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,13-dihydroestafiatin?
Yes, KEHONG BIO provides custom synthesis services for 11,13-dihydroestafiatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.