Acutumine
TL;DR: Acutumine (CAS 17088-50-5) is a chemical compound with molecular formula C19H24ClNO6 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4'S,6S,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Also Known As: Acutumine, (-)-Acutumine, (2'S,3'aS,5S)-2'-Chloro-5-hydroxy-4,4',5'-trimethoxy-10'-methyl-2',3'-dihydrospiro[cyclopent-3-ene-1,1'-[3a,7a](epiminoethano)indene]-2,6'(7'H)-dione, 2-Chloro-5'-hydroxy-4,4',5-trimethoxy-10-methyl-2,3-dihydrospiro[10-aza-3a,7a-(epiminoethano)indene-1,1'-cyclopent[3]ene]-2',6(7H)-dione
| Molecular Formula | C19H24ClNO6 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.1292 |
| Heavy Atoms | 27 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 17088-50-5 |
|---|---|
| SMILES | CN1CCC23[C@@]1(C[C@@H](C24[C@@H](C(=CC4=O)OC)O)Cl)C(=C(C(=O)C3)OC)OC |
| InChIKey | FSXRARBVZZKCGJ-HZEYTSSRSA-N |
Product Overview
Acutumine (CAS 17088-50-5), with molecular formula C19H24ClNO6 and molecular weight 397.13 g/mol. IUPAC: (4'S,6S,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione.
Chemical Property Profile of Acutumine
Property Insights of Acutumine
The XLogP value of -0.4 indicates that Acutumine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acutumine. Following Lipinski's Rule of Five, Acutumine has 1 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 Acutumine?
The CAS number of Acutumine is 17088-50-5.
What is the molecular formula of Acutumine?
The molecular formula of Acutumine is C19H24ClNO6.
What is the molecular weight of Acutumine?
The molecular weight of Acutumine is 397.13 g/mol.
Where can I buy Acutumine?
You can request a quote for Acutumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acutumine?
Yes, KEHONG BIO provides custom synthesis services for Acutumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.