NSC 306389
TL;DR: NSC 306389 (CAS 57093-26-2) is a chemical compound with molecular formula C21H24O8 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbut-2-enyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-1,4-dione
Also Known As: KST-1B5946, CN1C2Cc3cc(OC)c(OC)cc3C1Cc4cc(OC)c(O)cc24, 1,4-naphthalenedione, 2-(, A-d-glucopyranosyloxy)-3-(3-methyl-2-butenyl)-, 1,4-Naphthalenedione, 2-(.beta.-D-glucopyranosyloxy)-3-(3-methy
| Molecular Formula | C21H24O8 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.14713 |
| Heavy Atoms | 29 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 57093-26-2 |
|---|---|
| SMILES | CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C |
| InChIKey | MKAKTBOZNCNAHP-VPRICQMDSA-N |
Product Overview
NSC 306389 (CAS 57093-26-2), with molecular formula C21H24O8 and molecular weight 404.15 g/mol. IUPAC: 2-(3-methylbut-2-enyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-1,4-dione.
Chemical Property Profile of NSC 306389
Property Insights of NSC 306389
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NSC 306389. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NSC 306389. Following Lipinski's Rule of Five, NSC 306389 has 4 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 NSC 306389?
The CAS number of NSC 306389 is 57093-26-2.
What is the molecular formula of NSC 306389?
The molecular formula of NSC 306389 is C21H24O8.
What is the molecular weight of NSC 306389?
The molecular weight of NSC 306389 is 404.15 g/mol.
Where can I buy NSC 306389?
You can request a quote for NSC 306389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 306389?
Yes, KEHONG BIO provides custom synthesis services for NSC 306389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.