(4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate
TL;DR: (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate (CAS 147349-28-8) is a chemical compound with molecular formula C16H13NO6 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) (3-phenyloxiran-2-yl)methyl carbonate
Also Known As: S-NEPC, (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate, (2S,3S)-trans-3-Phenyl-2-oxiranylmethyl 4-nitrophenyl carbonate, 4-Nitrophenyl (3-phenyloxiran-2-yl)methyl carbonate, 4-nitrophenyl-2S,3S-epoxy-3 phenylpropyl carbonate
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.2503 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.07428 |
| Heavy Atoms | 23 |
| Complexity | 700.2702 |
Chemical Identifiers
| CAS Number | 147349-28-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(O2)COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate (CAS 147349-28-8), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl carbonate.
Chemical Property Profile of (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate
Property Insights of (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate
The XLogP value of 3.2503 indicates that (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate. Following Lipinski's Rule of Five, (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate 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 (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate?
The CAS number of (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate is 147349-28-8.
What is the molecular formula of (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate?
The molecular formula of (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate is C16H13NO6.
What is the molecular weight of (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate?
The molecular weight of (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate is 315.07 g/mol.
Where can I buy (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate?
You can request a quote for (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl) (3-phenyloxiran-2-yl)methyl Carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.