15-Acetoxy-4-keto-3-mesyloxy-scirpene
TL;DR: 15-Acetoxy-4-keto-3-mesyloxy-scirpene (CAS 2269-40-1) is a chemical compound with molecular formula C18H24O8S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,5-dimethyl-10-methylsulfonyloxy-11-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Also Known As: 15-Acetoxy-4-keto-3-mesyloxy-scirpene, ANGUIDINE DERIV 15-ACETOXY-4-KETO-3-MESYLOXYSCIRPENE, 3-[(Methanesulfonyl)oxy]-4-oxo-12,13-epoxytrichothec-9-en-15-yl acetate
| Molecular Formula | C18H24O8S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1192 |
| Heavy Atoms | 27 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 2269-40-1 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(=O)C(C(C34CO4)O2)OS(=O)(=O)C)C)COC(=O)C |
| InChIKey | XEOJLIWSVHVRCR-UHFFFAOYSA-N |
Product Overview
15-Acetoxy-4-keto-3-mesyloxy-scirpene (CAS 2269-40-1), with molecular formula C18H24O8S and molecular weight 400.12 g/mol. IUPAC: (1,5-dimethyl-10-methylsulfonyloxy-11-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate.
Chemical Property Profile of 15-Acetoxy-4-keto-3-mesyloxy-scirpene
Property Insights of 15-Acetoxy-4-keto-3-mesyloxy-scirpene
The XLogP value of -0.2 indicates that 15-Acetoxy-4-keto-3-mesyloxy-scirpene 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 15-Acetoxy-4-keto-3-mesyloxy-scirpene. Following Lipinski's Rule of Five, 15-Acetoxy-4-keto-3-mesyloxy-scirpene has 0 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 15-Acetoxy-4-keto-3-mesyloxy-scirpene?
The CAS number of 15-Acetoxy-4-keto-3-mesyloxy-scirpene is 2269-40-1.
What is the molecular formula of 15-Acetoxy-4-keto-3-mesyloxy-scirpene?
The molecular formula of 15-Acetoxy-4-keto-3-mesyloxy-scirpene is C18H24O8S.
What is the molecular weight of 15-Acetoxy-4-keto-3-mesyloxy-scirpene?
The molecular weight of 15-Acetoxy-4-keto-3-mesyloxy-scirpene is 400.12 g/mol.
Where can I buy 15-Acetoxy-4-keto-3-mesyloxy-scirpene?
You can request a quote for 15-Acetoxy-4-keto-3-mesyloxy-scirpene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Acetoxy-4-keto-3-mesyloxy-scirpene?
Yes, KEHONG BIO provides custom synthesis services for 15-Acetoxy-4-keto-3-mesyloxy-scirpene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.