Linichlorin C
TL;DR: Linichlorin C (CAS 66761-10-2) is a chemical compound with molecular formula C21H27ClO9 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-9-hydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate
Also Known As: Linichlorin C, LINICLORINA C, [8-acetyloxy-9-hydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2, [8-acetyloxy-9-hydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate, 3-Chloro-2-hydroxy-2-methylpropionic acid [dodecahydro-8-acetoxy-9-hydroxy-9-(hydroxymethyl)-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl] ester
| Molecular Formula | C21H27ClO9 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.13437 |
| Heavy Atoms | 31 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 66761-10-2 |
|---|---|
| SMILES | CC(=O)OC1CC2C(C1(CO)O)C3C(C(CC2=C)OC(=O)C(C)(CCl)O)C(=C)C(=O)O3 |
| InChIKey | BQZOLDKICRHJKZ-UHFFFAOYSA-N |
Product Overview
Linichlorin C (CAS 66761-10-2), with molecular formula C21H27ClO9 and molecular weight 458.13 g/mol. IUPAC: [8-acetyloxy-9-hydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate.
Chemical Property Profile of Linichlorin C
Property Insights of Linichlorin C
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Linichlorin C. The TPSA of 140.0 Ų indicates high polarity, suggesting Linichlorin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Linichlorin C has 3 hydrogen bond donor(s) and 9 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 Linichlorin C?
The CAS number of Linichlorin C is 66761-10-2.
What is the molecular formula of Linichlorin C?
The molecular formula of Linichlorin C is C21H27ClO9.
What is the molecular weight of Linichlorin C?
The molecular weight of Linichlorin C is 458.13 g/mol.
Where can I buy Linichlorin C?
You can request a quote for Linichlorin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linichlorin C?
Yes, KEHONG BIO provides custom synthesis services for Linichlorin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.