Chlorohyssopifolin A
TL;DR: Chlorohyssopifolin A (CAS 37006-36-3) is a chemical compound with molecular formula C19H24Cl2O7 and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,6aR,8S,9S,9aS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2R)-3-chloro-2-hydroxy-2-methylpropanoate
Also Known As: Centaurepensin, Hyrcanin, Chlorohyssopifolin A, Chlorohyssopiflobin A, KST-1A6569
| Molecular Formula | C19H24Cl2O7 |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.0899 |
| Heavy Atoms | 28 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 37006-36-3 |
|---|---|
| SMILES | C[C@](CCl)(C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2C3[C@@H]1C(=C)C(=O)O3)(CCl)O)O)O |
| InChIKey | NUVAJKJDTZTFLK-JZEHSGLZSA-N |
Product Overview
Chlorohyssopifolin A (CAS 37006-36-3), with molecular formula C19H24Cl2O7 and molecular weight 434.09 g/mol. IUPAC: [(3aR,4S,6aR,8S,9S,9aS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2R)-3-chloro-2-hydroxy-2-methylpropanoate.
Chemical Property Profile of Chlorohyssopifolin A
Property Insights of Chlorohyssopifolin A
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorohyssopifolin A. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorohyssopifolin A. Following Lipinski's Rule of Five, Chlorohyssopifolin A 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 Chlorohyssopifolin A?
The CAS number of Chlorohyssopifolin A is 37006-36-3.
What is the molecular formula of Chlorohyssopifolin A?
The molecular formula of Chlorohyssopifolin A is C19H24Cl2O7.
What is the molecular weight of Chlorohyssopifolin A?
The molecular weight of Chlorohyssopifolin A is 434.09 g/mol.
Where can I buy Chlorohyssopifolin A?
You can request a quote for Chlorohyssopifolin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorohyssopifolin A?
Yes, KEHONG BIO provides custom synthesis services for Chlorohyssopifolin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.