NCI60_003514
TL;DR: NCI60_003514 (CAS 75217-57-1) is a chemical compound with molecular formula C28H46O10 and molecular weight 542.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-acetyl-3,4-dihydroxy-6-methyloxan-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
Also Known As: NCI60_003514, PLATENOLIDE II, DEOXYACETYL-XYLOHEXOPYRANOSYL., 6-(4-acetyl-3,4-dihydroxy-6-methyloxan-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
| Molecular Formula | C28H46O10 |
|---|---|
| Molecular Weight | 542.31 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.3091 |
| Heavy Atoms | 38 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 75217-57-1 |
|---|---|
| SMILES | CCC1CC(C(C=CC=CCC(OC(=O)CC(C(C1OC2C(C(CC(O2)C)(C(=O)C)O)O)OC)O)C)O)C |
| InChIKey | IZFPDEQYDFAJRK-UHFFFAOYSA-N |
Product Overview
NCI60_003514 (CAS 75217-57-1), with molecular formula C28H46O10 and molecular weight 542.31 g/mol. IUPAC: 6-(4-acetyl-3,4-dihydroxy-6-methyloxan-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one.
Chemical Property Profile of NCI60_003514
Property Insights of NCI60_003514
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003514. The TPSA of 152.0 Ų indicates high polarity, suggesting NCI60_003514 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_003514 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_003514?
The CAS number of NCI60_003514 is 75217-57-1.
What is the molecular formula of NCI60_003514?
The molecular formula of NCI60_003514 is C28H46O10.
What is the molecular weight of NCI60_003514?
The molecular weight of NCI60_003514 is 542.31 g/mol.
Where can I buy NCI60_003514?
You can request a quote for NCI60_003514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003514?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.