EUPACHLORIN
TL;DR: EUPACHLORIN (CAS 20071-50-5) is a chemical compound with molecular formula C20H25ClO7 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(chloromethyl)-6,7,9a-trihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate
Also Known As: EUPACHLORIN, NCI60_000329, [6-(chloromethyl)-6,7,9a-trihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate
| Molecular Formula | C20H25ClO7 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.12888 |
| Heavy Atoms | 28 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 20071-50-5 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CC(C2C(C=C(C2(C3C1C(=C)C(=O)O3)O)C)O)(CCl)O |
| InChIKey | VCAKAFVZYNRGKS-UHFFFAOYSA-N |
Product Overview
EUPACHLORIN (CAS 20071-50-5), with molecular formula C20H25ClO7 and molecular weight 412.13 g/mol. IUPAC: [6-(chloromethyl)-6,7,9a-trihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate.
Chemical Property Profile of EUPACHLORIN
Property Insights of EUPACHLORIN
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EUPACHLORIN. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EUPACHLORIN. Following Lipinski's Rule of Five, EUPACHLORIN 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 EUPACHLORIN?
The CAS number of EUPACHLORIN is 20071-50-5.
What is the molecular formula of EUPACHLORIN?
The molecular formula of EUPACHLORIN is C20H25ClO7.
What is the molecular weight of EUPACHLORIN?
The molecular weight of EUPACHLORIN is 412.13 g/mol.
Where can I buy EUPACHLORIN?
You can request a quote for EUPACHLORIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EUPACHLORIN?
Yes, KEHONG BIO provides custom synthesis services for EUPACHLORIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.