Carbonic acid, 4-nitrophenyl phenylmethyl ester
TL;DR: Carbonic acid, 4-nitrophenyl phenylmethyl ester (CAS 13795-24-9) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (4-nitrophenyl) carbonate
Also Known As: Benzyl 4-nitrophenyl carbonate, benzyl (4-nitrophenyl) carbonate, Benzyl p-nitrophenyl carbonate, Carbonic acid, 4-nitrophenyl phenylmethyl ester, p-Nitrophenyl benzyl carbonate
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 13795-24-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | QIXRWIVDBZJDGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, 4-nitrophenyl phenylmethyl ester (CAS 13795-24-9), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: benzyl (4-nitrophenyl) carbonate.
Chemical Property Profile of Carbonic acid, 4-nitrophenyl phenylmethyl ester
Property Insights of Carbonic acid, 4-nitrophenyl phenylmethyl ester
The XLogP value of 3.4 indicates that Carbonic acid, 4-nitrophenyl phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, 4-nitrophenyl phenylmethyl ester. Following Lipinski's Rule of Five, Carbonic acid, 4-nitrophenyl phenylmethyl 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, 4-nitrophenyl phenylmethyl ester?
The CAS number of Carbonic acid, 4-nitrophenyl phenylmethyl ester is 13795-24-9.
What is the molecular formula of Carbonic acid, 4-nitrophenyl phenylmethyl ester?
The molecular formula of Carbonic acid, 4-nitrophenyl phenylmethyl ester is C14H11NO5.
What is the molecular weight of Carbonic acid, 4-nitrophenyl phenylmethyl ester?
The molecular weight of Carbonic acid, 4-nitrophenyl phenylmethyl ester is 273.06 g/mol.
Where can I buy Carbonic acid, 4-nitrophenyl phenylmethyl ester?
You can request a quote for Carbonic acid, 4-nitrophenyl phenylmethyl 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, 4-nitrophenyl phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 4-nitrophenyl phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.