Chlororepdiolide
TL;DR: Chlororepdiolide (CAS 106566-98-7) 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.
[(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
Also Known As: Chlororepdiolide, Cebellin E, 1,2-Dppf, KST-1A0755, 1,2-Dipalmitoylphosphatidylfluorouridine
| Molecular Formula | C19H23ClO7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.11322 |
| Heavy Atoms | 27 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 106566-98-7 |
|---|---|
| SMILES | CC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)[C@]([C@H]([C@@H]2O)O)(CCl)O |
| InChIKey | ADYLGDMJIHJMCB-SQBHYDKLSA-N |
Product Overview
Chlororepdiolide (CAS 106566-98-7), with molecular formula C19H23ClO7 and molecular weight 398.11 g/mol. IUPAC: [(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate.
Chemical Property Profile of Chlororepdiolide
Property Insights of Chlororepdiolide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlororepdiolide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlororepdiolide. Following Lipinski's Rule of Five, Chlororepdiolide has 3 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 Chlororepdiolide?
The CAS number of Chlororepdiolide is 106566-98-7.
What is the molecular formula of Chlororepdiolide?
The molecular formula of Chlororepdiolide is C19H23ClO7.
What is the molecular weight of Chlororepdiolide?
The molecular weight of Chlororepdiolide is 398.11 g/mol.
Where can I buy Chlororepdiolide?
You can request a quote for Chlororepdiolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlororepdiolide?
Yes, KEHONG BIO provides custom synthesis services for Chlororepdiolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.