Chlorohyssopifolin D
TL;DR: Chlorohyssopifolin D (CAS 54278-79-4) is a chemical compound with molecular formula C21H29ClO8 and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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] 2-ethoxy-3-hydroxy-2-methylpropanoate
Also Known As: Chlorohyssopifolin D, chlorohyssopifolinD, [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] 2-ethoxy-3-hydroxy-2-methylpropanoate, Propanoic acid, 2-ethoxy-3-hydroxy-2-methyl-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, 2-Ethoxy-3-hydroxy-2-methylpropanoic acid 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-dimethylene-2-oxoazuleno[4,5-b]furan-4-yl ester
| Molecular Formula | C21H29ClO8 |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.1551 |
| Heavy Atoms | 30 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 54278-79-4 |
|---|---|
| SMILES | CCOC(C)(CO)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O |
| InChIKey | BKGOOGOAAWZTIY-UHFFFAOYSA-N |
Product Overview
Chlorohyssopifolin D (CAS 54278-79-4), with molecular formula C21H29ClO8 and molecular weight 444.16 g/mol. IUPAC: [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] 2-ethoxy-3-hydroxy-2-methylpropanoate.
Chemical Property Profile of Chlorohyssopifolin D
Property Insights of Chlorohyssopifolin D
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorohyssopifolin D. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorohyssopifolin D. Following Lipinski's Rule of Five, Chlorohyssopifolin D has 3 hydrogen bond donor(s) and 8 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 D?
The CAS number of Chlorohyssopifolin D is 54278-79-4.
What is the molecular formula of Chlorohyssopifolin D?
The molecular formula of Chlorohyssopifolin D is C21H29ClO8.
What is the molecular weight of Chlorohyssopifolin D?
The molecular weight of Chlorohyssopifolin D is 444.16 g/mol.
Where can I buy Chlorohyssopifolin D?
You can request a quote for Chlorohyssopifolin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorohyssopifolin D?
Yes, KEHONG BIO provides custom synthesis services for Chlorohyssopifolin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.