EUPACHLORIN ACETATE
TL;DR: EUPACHLORIN ACETATE (CAS 20501-52-4) is a chemical compound with molecular formula C22H27ClO8 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-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 ACETATE, NCI60_000330, [7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate, 7-(acetyloxy)-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylidene-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate
| Molecular Formula | C22H27ClO8 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.13943 |
| Heavy Atoms | 31 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 20501-52-4 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CC(C2C(C=C(C2(C3C1C(=C)C(=O)O3)O)C)OC(=O)C)(CCl)O |
| InChIKey | WVTMFOWXYVFVDE-UHFFFAOYSA-N |
Product Overview
EUPACHLORIN ACETATE (CAS 20501-52-4), with molecular formula C22H27ClO8 and molecular weight 454.14 g/mol. IUPAC: [7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-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 ACETATE
Property Insights of EUPACHLORIN ACETATE
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EUPACHLORIN ACETATE. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EUPACHLORIN ACETATE. Following Lipinski's Rule of Five, EUPACHLORIN ACETATE has 2 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 EUPACHLORIN ACETATE?
The CAS number of EUPACHLORIN ACETATE is 20501-52-4.
What is the molecular formula of EUPACHLORIN ACETATE?
The molecular formula of EUPACHLORIN ACETATE is C22H27ClO8.
What is the molecular weight of EUPACHLORIN ACETATE?
The molecular weight of EUPACHLORIN ACETATE is 454.14 g/mol.
Where can I buy EUPACHLORIN ACETATE?
You can request a quote for EUPACHLORIN ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EUPACHLORIN ACETATE?
Yes, KEHONG BIO provides custom synthesis services for EUPACHLORIN ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.