Gnidimacrin
TL;DR: Gnidimacrin (CAS 60796-70-5) is a chemical compound with molecular formula C44H54O12 and molecular weight 774.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R,5R,6S,7S,9R,10S,11S,12S,13S,14S,15R,22R,23S,25R)-12-benzoyloxy-10,11,22-trihydroxy-9-(hydroxymethyl)-13,15-dimethyl-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-2-yl]methyl benzoate
Also Known As: Gnidimacrin, [(1R,2S,4R,5R,6S,7S,9R,10S,11S,12S,13S,14S,15R,22R,23S,25R)-12-Benzoyloxy-10,11,22-trihydroxy-9-(hydroxymethyl)-13,15-dimethyl-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-2-yl]methyl benzoate, [benzoyloxy-trihydroxy-(hydroxymethyl)-isopropenyl-dimethyl-[?]yl]methyl benzoate
| Molecular Formula | C44H54O12 |
|---|---|
| Molecular Weight | 774.36 g/mol |
| LogP | 4.327 |
| Topological Polar Surface Area | 173.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 774.3615 |
| Heavy Atoms | 56 |
| Complexity | 1857.9531 |
Chemical Identifiers
| CAS Number | 60796-70-5 |
|---|---|
| SMILES | C[C@@H]1CCCCCC[C@H]([C@]23O[C@@H]4[C@@H]5[C@H]6[C@](O6)([C@H]([C@]7([C@@H]([C@@H]1[C@@H]([C@@H]7OC(=O)C8=CC=CC=C8)C)[C@@]5(O2)[C@@H](C[C@@]4(O3)C(=C)C)COC(=O)C9=CC=CC=C9)O)O)CO)O |
Product Overview
Gnidimacrin (CAS 60796-70-5), with molecular formula C44H54O12 and molecular weight 774.36 g/mol. IUPAC: [(1R,2S,4R,5R,6S,7S,9R,10S,11S,12S,13S,14S,15R,22R,23S,25R)-12-benzoyloxy-10,11,22-trihydroxy-9-(hydroxymethyl)-13,15-dimethyl-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-2-yl]methyl benzoate.
Chemical Property Profile of Gnidimacrin
Property Insights of Gnidimacrin
The XLogP value of 4.327 indicates that Gnidimacrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.74 Ų indicates high polarity, suggesting Gnidimacrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gnidimacrin has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gnidimacrin?
The CAS number of Gnidimacrin is 60796-70-5.
What is the molecular formula of Gnidimacrin?
The molecular formula of Gnidimacrin is C44H54O12.
What is the molecular weight of Gnidimacrin?
The molecular weight of Gnidimacrin is 774.36 g/mol.
Where can I buy Gnidimacrin?
You can request a quote for Gnidimacrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gnidimacrin?
Yes, KEHONG BIO provides custom synthesis services for Gnidimacrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.