NSC 299117
TL;DR: NSC 299117 (CAS 62078-28-8) is a chemical compound with molecular formula C32H40O12 and molecular weight 616.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,16S,19S,21R)-4,16-diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate
Also Known As: 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-(acetyl acetal), [1.alpha.,3.alpha.,4.beta.(S),5.alpha.,7.alpha.,12.alpha.,13.alpha.,14.beta.,15.beta.,17.alpha.]-
| Molecular Formula | C32H40O12 |
|---|---|
| Molecular Weight | 616.25 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 616.25195 |
| Heavy Atoms | 44 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 62078-28-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]([C@@]23CO[C@H]([C@]1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)[C@@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)OC(=O)C)C)O)C)OC(=O)C)O |
| InChIKey | JSPJNBZMTOABAW-HAHGMPLSSA-N |
Product Overview
NSC 299117 (CAS 62078-28-8), with molecular formula C32H40O12 and molecular weight 616.25 g/mol. IUPAC: [(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,16S,19S,21R)-4,16-diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate.
Chemical Property Profile of NSC 299117
Property Insights of NSC 299117
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NSC 299117. The TPSA of 171.0 Ų indicates high polarity, suggesting NSC 299117 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NSC 299117 has 2 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 NSC 299117?
The CAS number of NSC 299117 is 62078-28-8.
What is the molecular formula of NSC 299117?
The molecular formula of NSC 299117 is C32H40O12.
What is the molecular weight of NSC 299117?
The molecular weight of NSC 299117 is 616.25 g/mol.
Where can I buy NSC 299117?
You can request a quote for NSC 299117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 299117?
Yes, KEHONG BIO provides custom synthesis services for NSC 299117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.