Acroptilin
TL;DR: Acroptilin (CAS 11049-71-1) is a chemical compound with molecular formula C19H23ClO7 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl) 3-chloro-2-hydroxy-2-methylpropanoate
Also Known As: Acroptilin, Chlorohyssopifolin C, 8-Hydroxy-3,6-dimethylidene-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoatato(2-), 8-hydroxy-3,6-dimethylidene-2-oxodecahydro-2h-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl3-chloro-2-hydroxy-2-methylpropanoate, (8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl) 3-chloro-2-hydroxy-2-methylpropanoate
| Molecular Formula | C19H23ClO7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.11322 |
| Heavy Atoms | 27 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 11049-71-1 |
|---|---|
| SMILES | CC(CCl)(C(=O)OC1CC(=C)C2CC(C3(C2C4C1C(=C)C(=O)O4)CO3)O)O |
| InChIKey | RFRUYYQMUJRBAN-UHFFFAOYSA-N |
Product Overview
Acroptilin (CAS 11049-71-1), with molecular formula C19H23ClO7 and molecular weight 398.11 g/mol. IUPAC: (8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl) 3-chloro-2-hydroxy-2-methylpropanoate.
Chemical Property Profile of Acroptilin
Property Insights of Acroptilin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acroptilin. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acroptilin. Following Lipinski's Rule of Five, Acroptilin has 2 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 Acroptilin?
The CAS number of Acroptilin is 11049-71-1.
What is the molecular formula of Acroptilin?
The molecular formula of Acroptilin is C19H23ClO7.
What is the molecular weight of Acroptilin?
The molecular weight of Acroptilin is 398.11 g/mol.
Where can I buy Acroptilin?
You can request a quote for Acroptilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acroptilin?
Yes, KEHONG BIO provides custom synthesis services for Acroptilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.