3-Ketoanguidin
TL;DR: 3-Ketoanguidin (CAS 25672-38-2) is a chemical compound with molecular formula C19H24O7 and molecular weight 364.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9S,11S,12S)-11-acetyloxy-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 3-Ketoanguidin, ANGUIDINE, 3 KETO, KST-1A3220, (4, A)-3-oxo-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
| Molecular Formula | C19H24O7 |
|---|---|
| Molecular Weight | 364.15 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.1522 |
| Heavy Atoms | 26 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 25672-38-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C(=O)[C@H]([C@@]34CO4)O2)OC(=O)C)C)COC(=O)C |
| InChIKey | NHJUGASJCCCIPS-RZDZEHBZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ketoanguidin (CAS 25672-38-2), with molecular formula C19H24O7 and molecular weight 364.15 g/mol. IUPAC: [(1S,2R,7R,9S,11S,12S)-11-acetyloxy-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 3-Ketoanguidin
Property Insights of 3-Ketoanguidin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ketoanguidin. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ketoanguidin. Following Lipinski's Rule of Five, 3-Ketoanguidin has 0 hydrogen bond donor(s) and 7 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 3-Ketoanguidin?
The CAS number of 3-Ketoanguidin is 25672-38-2.
What is the molecular formula of 3-Ketoanguidin?
The molecular formula of 3-Ketoanguidin is C19H24O7.
What is the molecular weight of 3-Ketoanguidin?
The molecular weight of 3-Ketoanguidin is 364.15 g/mol.
Where can I buy 3-Ketoanguidin?
You can request a quote for 3-Ketoanguidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ketoanguidin?
Yes, KEHONG BIO provides custom synthesis services for 3-Ketoanguidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.