Carbonic acid isobutyl ester 4-nitrophenyl ester
TL;DR: Carbonic acid isobutyl ester 4-nitrophenyl ester (CAS 112240-73-0) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl (4-nitrophenyl) carbonate
Also Known As: 4-Nitrophenol, isoBOC, isobutyl 4-nitrophenyl carbonate, 2-methylpropyl (4-nitrophenyl) carbonate, Isobutyl (4-nitrophenyl) carbonate, Carbonic acid isobutyl ester 4-nitro-phenyl ester
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 2.7662 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 398.82776 |
Chemical Identifiers
| CAS Number | 112240-73-0 |
|---|---|
| SMILES | CC(C)COC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Carbonic acid isobutyl ester 4-nitrophenyl ester (CAS 112240-73-0), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 2-methylpropyl (4-nitrophenyl) carbonate.
Chemical Property Profile of Carbonic acid isobutyl ester 4-nitrophenyl ester
Property Insights of Carbonic acid isobutyl ester 4-nitrophenyl ester
The XLogP value of 2.7662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid isobutyl ester 4-nitrophenyl ester. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid isobutyl ester 4-nitrophenyl ester. Following Lipinski's Rule of Five, Carbonic acid isobutyl ester 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 5 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 Carbonic acid isobutyl ester 4-nitrophenyl ester?
The CAS number of Carbonic acid isobutyl ester 4-nitrophenyl ester is 112240-73-0.
What is the molecular formula of Carbonic acid isobutyl ester 4-nitrophenyl ester?
The molecular formula of Carbonic acid isobutyl ester 4-nitrophenyl ester is C11H13NO5.
What is the molecular weight of Carbonic acid isobutyl ester 4-nitrophenyl ester?
The molecular weight of Carbonic acid isobutyl ester 4-nitrophenyl ester is 239.08 g/mol.
Where can I buy Carbonic acid isobutyl ester 4-nitrophenyl ester?
You can request a quote for Carbonic acid isobutyl ester 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid isobutyl ester 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid isobutyl ester 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.