Sandoricin
TL;DR: Sandoricin (CAS 133585-55-4) is a chemical compound with molecular formula C31H40O11 and molecular weight 588.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1S,5S,7S,8S,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
Also Known As: Sandoricin, NCI60_006595, Methyl 2-[(1S,5S,7S,8S,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
| Molecular Formula | C31H40O11 |
|---|---|
| Molecular Weight | 588.26 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.2571 |
| Heavy Atoms | 42 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 133585-55-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC2[C@@]([C@H](C1(C)C)CC(=O)OC)(C3CC(C4(C(OC(=O)[C@H]([C@@]4(C3=C)O2)O)C5=COC=C5)C)OC(=O)C)C |
| InChIKey | FPZCLGWPFTXULY-BPCKSTTASA-N |
Product Overview
Sandoricin (CAS 133585-55-4), with molecular formula C31H40O11 and molecular weight 588.26 g/mol. IUPAC: methyl 2-[(1S,5S,7S,8S,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate.
Chemical Property Profile of Sandoricin
Property Insights of Sandoricin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sandoricin. The TPSA of 148.0 Ų indicates high polarity, suggesting Sandoricin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sandoricin has 1 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 Sandoricin?
The CAS number of Sandoricin is 133585-55-4.
What is the molecular formula of Sandoricin?
The molecular formula of Sandoricin is C31H40O11.
What is the molecular weight of Sandoricin?
The molecular weight of Sandoricin is 588.26 g/mol.
Where can I buy Sandoricin?
You can request a quote for Sandoricin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sandoricin?
Yes, KEHONG BIO provides custom synthesis services for Sandoricin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.