diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate
TL;DR: diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate (CAS 383886-63-3) is a chemical compound with molecular formula C19H23NO8S and molecular weight 425.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenylmethyl]propanedioate
Also Known As: diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate, diethyl 2-[(3-methyl-4-nitro-1,1-dioxo(2-4,5-dihydrothienyl))phenylmethyl]prop ane-1,3-dioate, diethyl 2-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenylmethyl]propanedioate
| Molecular Formula | C19H23NO8S |
|---|---|
| Molecular Weight | 425.11 g/mol |
| LogP | 1.8603 |
| Topological Polar Surface Area | 129.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.11444 |
| Heavy Atoms | 29 |
| Complexity | 904.78735 |
Chemical Identifiers
| CAS Number | 383886-63-3 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=CC=C1)C2=C(C(CS2(=O)=O)[N+](=O)[O-])C)C(=O)OCC |
Product Overview
diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate (CAS 383886-63-3), with molecular formula C19H23NO8S and molecular weight 425.11 g/mol. IUPAC: diethyl 2-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenylmethyl]propanedioate.
Chemical Property Profile of diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate
Property Insights of diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate
The XLogP value of 1.8603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate. The TPSA of 129.88 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate. Following Lipinski's Rule of Five, diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate has 0 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 diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate?
The CAS number of diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate is 383886-63-3.
What is the molecular formula of diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate?
The molecular formula of diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate is C19H23NO8S.
What is the molecular weight of diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate?
The molecular weight of diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate is 425.11 g/mol.
Where can I buy diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate?
You can request a quote for diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-((3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.