Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate
TL;DR: Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate (CAS 40918-93-2) is a chemical compound with molecular formula C21H18O7 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentane-1-carboxylate
Also Known As: methyl 2,3-di(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate, Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate, methyl 2,3-bis(2H-1,3-benzodioxol-5-yl)-5-oxocyclopentane-1-carboxylate, methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentane-1-carboxylate, Methyl 2,3-dibenzo[1,3]dioxol-5-yl-5-oxo-cyclopentane-1-carboxylate
| Molecular Formula | C21H18O7 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 2.7734 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.10526 |
| Heavy Atoms | 28 |
| Complexity | 967.2216 |
Chemical Identifiers
| CAS Number | 40918-93-2 |
|---|---|
| SMILES | COC(=O)C1C(C(CC1=O)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5 |
Product Overview
Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate (CAS 40918-93-2), with molecular formula C21H18O7 and molecular weight 382.11 g/mol. IUPAC: methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate
Property Insights of Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate
The XLogP value of 2.7734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate. Following Lipinski's Rule of Five, Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate has 0 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 Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate?
The CAS number of Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate is 40918-93-2.
What is the molecular formula of Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate?
The molecular formula of Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate is C21H18O7.
What is the molecular weight of Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate?
The molecular weight of Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate is 382.11 g/mol.
Where can I buy Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate?
You can request a quote for Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.