Sceleratine
TL;DR: Sceleratine (CAS 6680-73-5) is a chemical compound with molecular formula C18H27NO7 and molecular weight 369.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6R)-4,7-dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Also Known As: Sceleratine, Sceleratin, KST-1A7348, (1R,6R)-4,7-dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione, 21-Norsenecionan-11,16-dione, 15,20-dihydro-12,15,20-trihydroxy-14-methyl-, (14-alpha,15-alpha)-
| Molecular Formula | C18H27NO7 |
|---|---|
| Molecular Weight | 369.18 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.17874 |
| Heavy Atoms | 26 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 6680-73-5 |
|---|---|
| SMILES | C[C@@H]1C(C(C(=O)O[C@@H]2CCN3C2C(=CC3)COC(=O)C1(C)O)(CO)O)C |
| InChIKey | KWEQCWXCFQWUQU-AUBWXPIGSA-N |
Product Overview
Sceleratine (CAS 6680-73-5), with molecular formula C18H27NO7 and molecular weight 369.18 g/mol. IUPAC: (1R,6R)-4,7-dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione.
Chemical Property Profile of Sceleratine
Property Insights of Sceleratine
The XLogP value of -0.1 indicates that Sceleratine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sceleratine. Following Lipinski's Rule of Five, Sceleratine has 3 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 Sceleratine?
The CAS number of Sceleratine is 6680-73-5.
What is the molecular formula of Sceleratine?
The molecular formula of Sceleratine is C18H27NO7.
What is the molecular weight of Sceleratine?
The molecular weight of Sceleratine is 369.18 g/mol.
Where can I buy Sceleratine?
You can request a quote for Sceleratine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sceleratine?
Yes, KEHONG BIO provides custom synthesis services for Sceleratine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.