Linimacrins d
TL;DR: Linimacrins d (CAS 78518-72-6) is a chemical compound with molecular formula C39H52O11 and molecular weight 696.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3R,4S,5R,6S,7S,9R,10S,11S,12S,13S,15R)-3-acetyloxy-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-yl] benzoate
Also Known As: Linimacrins d, linimacrin d, Linimacrins c, 16aH-1,6:2,6-Diepoxybenz(7,8)oxireno(5,6)azuleno(8,1-bc)oxacyclotridecin-16,16a,17-triol, 3-(acetyloxy)eicosahydro-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, 16-benzoate, (1R,2R,3R,4R,4aR,6S,7R,14R,14aS,15S,16S,16aS,16bR,17S,17aR,18aS,18bS)-
| Molecular Formula | C39H52O11 |
|---|---|
| Molecular Weight | 696.35 g/mol |
| LogP | 4.0607 |
| Topological Polar Surface Area | 153.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 696.35095 |
| Heavy Atoms | 50 |
| Complexity | 1551.1553 |
Chemical Identifiers
| CAS Number | 78518-72-6 |
|---|---|
| SMILES | C[C@@H]1CCCCCCCC23O[C@@H]4[C@@H]5[C@H]6[C@](O6)([C@H]([C@@]7([C@H]([C@H](C1C7[C@@]5(O2)[C@@H]([C@H]([C@@]4(O3)C(=C)C)OC(=O)C)C)C)OC(=O)C8=CC=CC=C8)O)O)CO |
Product Overview
Linimacrins d (CAS 78518-72-6), with molecular formula C39H52O11 and molecular weight 696.35 g/mol. IUPAC: [(1R,2R,3R,4S,5R,6S,7S,9R,10S,11S,12S,13S,15R)-3-acetyloxy-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-yl] benzoate.
Chemical Property Profile of Linimacrins d
Property Insights of Linimacrins d
The XLogP value of 4.0607 indicates that Linimacrins d is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.51 Ų indicates high polarity, suggesting Linimacrins d may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Linimacrins d has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Linimacrins d?
The CAS number of Linimacrins d is 78518-72-6.
What is the molecular formula of Linimacrins d?
The molecular formula of Linimacrins d is C39H52O11.
What is the molecular weight of Linimacrins d?
The molecular weight of Linimacrins d is 696.35 g/mol.
Where can I buy Linimacrins d?
You can request a quote for Linimacrins d directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linimacrins d?
Yes, KEHONG BIO provides custom synthesis services for Linimacrins d and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.