Nigakihemiacetal-D
TL;DR: Nigakihemiacetal-D (CAS 52483-06-4) is a chemical compound with molecular formula C24H36O8 and molecular weight 452.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6S,7S,9R,13R,14S,15R,16S,17R)-11,14-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate
Also Known As: Nigakihemiacetal-D, Nigakihemiacetal D, (dihydroxy-dimethoxy-tetramethyl-oxo-[?]yl) acetate, 11alpha-(Acetyloxy)-13,16-dihydroxy-2,12beta-dimethoxypicras-2-en-1-one, 13,16-Dihydroxy-2,12-dimethoxy-1-oxopicras-2-en-11-yl acetate
| Molecular Formula | C24H36O8 |
|---|---|
| Molecular Weight | 452.24 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.24103 |
| Heavy Atoms | 32 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 52483-06-4 |
|---|---|
| SMILES | C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@H]([C@@]([C@@H]4CC(O3)O)(C)O)OC)OC(=O)C)C)C)OC |
| InChIKey | CZEONSLVJRHIIJ-WMVPGSNMSA-N |
Product Overview
Nigakihemiacetal-D (CAS 52483-06-4), with molecular formula C24H36O8 and molecular weight 452.24 g/mol. IUPAC: [(1S,2S,6S,7S,9R,13R,14S,15R,16S,17R)-11,14-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate.
Chemical Property Profile of Nigakihemiacetal-D
Property Insights of Nigakihemiacetal-D
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nigakihemiacetal-D. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nigakihemiacetal-D. Following Lipinski's Rule of Five, Nigakihemiacetal-D has 2 hydrogen bond donor(s) and 8 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 Nigakihemiacetal-D?
The CAS number of Nigakihemiacetal-D is 52483-06-4.
What is the molecular formula of Nigakihemiacetal-D?
The molecular formula of Nigakihemiacetal-D is C24H36O8.
What is the molecular weight of Nigakihemiacetal-D?
The molecular weight of Nigakihemiacetal-D is 452.24 g/mol.
Where can I buy Nigakihemiacetal-D?
You can request a quote for Nigakihemiacetal-D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nigakihemiacetal-D?
Yes, KEHONG BIO provides custom synthesis services for Nigakihemiacetal-D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.