![methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate structure](/static/products/1005/1005085-90-4.webp)
methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate
TL;DR: methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate (CAS 1005085-90-4) is a chemical compound with molecular formula C21H18ClNO5 and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxo-3a,5,6,6a-tetrahydrofuro[3,4-c]pyrrole-4-carboxylate
Also Known As: methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate, methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxo-3a,5,6,6a-tetrahydrofuro[3,4-c]pyrrole-4-carboxylate, methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxo-hexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate, 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, 6-(4-chlorophenyl)hexahydro-1,3-dioxo-4-(phenylmethyl)-, methyl ester, methyl4-benzyl-6-(4-chlorophenyl)-1,3-dioxo-hexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate
| Molecular Formula | C21H18ClNO5 |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 2.4546 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.08734 |
| Heavy Atoms | 28 |
| Complexity | 929.57196 |
Chemical Identifiers
| CAS Number | 1005085-90-4 |
|---|---|
| SMILES | COC(=O)C1(C2C(C(N1)C3=CC=C(C=C3)Cl)C(=O)OC2=O)CC4=CC=CC=C4 |
Product Overview
methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate (CAS 1005085-90-4), with molecular formula C21H18ClNO5 and molecular weight 399.09 g/mol. IUPAC: methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxo-3a,5,6,6a-tetrahydrofuro[3,4-c]pyrrole-4-carboxylate.
Chemical Property Profile of methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate
Property Insights of methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate
The XLogP value of 2.4546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate. Following Lipinski's Rule of Five, methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate?
The CAS number of methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate is 1005085-90-4.
What is the molecular formula of methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate?
The molecular formula of methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate is C21H18ClNO5.
What is the molecular weight of methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate?
The molecular weight of methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate is 399.09 g/mol.
Where can I buy methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate?
You can request a quote for methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-benzyl-6-(4-chlorophenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.