Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester
TL;DR: Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester (CAS 97557-59-0) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)methyl (4-nitrophenyl) carbonate
Also Known As: Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester, (4-methylphenyl)methyl (4-nitrophenyl) carbonate, (4-METHYLPHENYL)METHYL 4-NITROPHENYL CARBONATE
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 3.61882 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 634.11847 |
Chemical Identifiers
| CAS Number | 97557-59-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester (CAS 97557-59-0), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: (4-methylphenyl)methyl (4-nitrophenyl) carbonate.
Chemical Property Profile of Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester
Property Insights of Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester
The XLogP value of 3.61882 indicates that Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester. Following Lipinski's Rule of Five, Carbonic acid, (4-methylphenyl)methyl 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, (4-methylphenyl)methyl 4-nitrophenyl ester?
The CAS number of Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester is 97557-59-0.
What is the molecular formula of Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester?
The molecular formula of Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester is C15H13NO5.
What is the molecular weight of Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester?
The molecular weight of Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester is 287.08 g/mol.
Where can I buy Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester?
You can request a quote for Carbonic acid, (4-methylphenyl)methyl 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, (4-methylphenyl)methyl 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.