1-O-methyl 4-O-(4-nitrophenyl) butanedioate
TL;DR: 1-O-methyl 4-O-(4-nitrophenyl) butanedioate (CAS 52057-01-9) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-methyl 4-O-(4-nitrophenyl) butanedioate
Also Known As: CBKinase1_000146, CBKinase1_012546, methyl 4-nitrophenyl succinate, methyl 4-nitrophenyl butanedioate, 1-O-methyl 4-O-(4-nitrophenyl) butanedioate
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.4534 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 453.10617 |
Chemical Identifiers
| CAS Number | 52057-01-9 |
|---|---|
| SMILES | COC(=O)CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-O-methyl 4-O-(4-nitrophenyl) butanedioate (CAS 52057-01-9), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: 1-O-methyl 4-O-(4-nitrophenyl) butanedioate.
Chemical Property Profile of 1-O-methyl 4-O-(4-nitrophenyl) butanedioate
Property Insights of 1-O-methyl 4-O-(4-nitrophenyl) butanedioate
The XLogP value of 1.4534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-methyl 4-O-(4-nitrophenyl) butanedioate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-methyl 4-O-(4-nitrophenyl) butanedioate. Following Lipinski's Rule of Five, 1-O-methyl 4-O-(4-nitrophenyl) butanedioate has 0 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 1-O-methyl 4-O-(4-nitrophenyl) butanedioate?
The CAS number of 1-O-methyl 4-O-(4-nitrophenyl) butanedioate is 52057-01-9.
What is the molecular formula of 1-O-methyl 4-O-(4-nitrophenyl) butanedioate?
The molecular formula of 1-O-methyl 4-O-(4-nitrophenyl) butanedioate is C11H11NO6.
What is the molecular weight of 1-O-methyl 4-O-(4-nitrophenyl) butanedioate?
The molecular weight of 1-O-methyl 4-O-(4-nitrophenyl) butanedioate is 253.06 g/mol.
Where can I buy 1-O-methyl 4-O-(4-nitrophenyl) butanedioate?
You can request a quote for 1-O-methyl 4-O-(4-nitrophenyl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-methyl 4-O-(4-nitrophenyl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-methyl 4-O-(4-nitrophenyl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.