Chlorochrymorin
TL;DR: Chlorochrymorin (CAS 52525-23-2) is a chemical compound with molecular formula C15H19ClO5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,8S,9S,10R,11R,12S)-11-chloro-10-hydroxy-2-[(1S)-1-hydroxyethyl]-10-methyl-5-methylidene-7,13-dioxatetracyclo[7.4.0.01,12.04,8]tridecan-6-one
Also Known As: Chlorochrymorin, (1S,2S,4S,8S,9S,10R,11R,12S)-11-chloro-10-hydroxy-2-[(1S)-1-hydroxyethyl]-10-methyl-5-methylidene-7,13-dioxatetracyclo[7.4.0.01,12.04,8]tridecan-6-one, (3aS,3bS,4R,5R,5aS,6aS,7S,8aS)-5-Chloro-4-hydroxy-7-[(1S)-1-hydroxyethyl]-4-methyl-1-methylideneoctahydrooxireno[1,7a]indeno[4,5-b]furan-2(1H)-one
| Molecular Formula | C15H19ClO5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.0921 |
| Heavy Atoms | 21 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 52525-23-2 |
|---|---|
| SMILES | C[C@@H]([C@@H]1C[C@@H]2[C@@H]([C@@H]3[C@]14[C@H](O4)[C@H]([C@]3(C)O)Cl)OC(=O)C2=C)O |
| InChIKey | VTKBHHKUNBJMHE-HWXSHQRMSA-N |
Product Overview
Chlorochrymorin (CAS 52525-23-2), with molecular formula C15H19ClO5 and molecular weight 314.09 g/mol. IUPAC: (1S,2S,4S,8S,9S,10R,11R,12S)-11-chloro-10-hydroxy-2-[(1S)-1-hydroxyethyl]-10-methyl-5-methylidene-7,13-dioxatetracyclo[7.4.0.01,12.04,8]tridecan-6-one.
Chemical Property Profile of Chlorochrymorin
Property Insights of Chlorochrymorin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorochrymorin. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorochrymorin. Following Lipinski's Rule of Five, Chlorochrymorin has 2 hydrogen bond donor(s) and 5 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 Chlorochrymorin?
The CAS number of Chlorochrymorin is 52525-23-2.
What is the molecular formula of Chlorochrymorin?
The molecular formula of Chlorochrymorin is C15H19ClO5.
What is the molecular weight of Chlorochrymorin?
The molecular weight of Chlorochrymorin is 314.09 g/mol.
Where can I buy Chlorochrymorin?
You can request a quote for Chlorochrymorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorochrymorin?
Yes, KEHONG BIO provides custom synthesis services for Chlorochrymorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.