4-(Benzyloxy)-2-chloro-1-nitrobenzene
TL;DR: 4-(Benzyloxy)-2-chloro-1-nitrobenzene (CAS 50545-45-4) is a chemical compound with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-nitro-4-phenylmethoxybenzene
Also Known As: 4-(benzyloxy)-2-chloro-1-nitrobenzene, 2-chloro-1-nitro-4-phenylmethoxybenzene, benzyl 3-chloro-4-nitrophenyl ether, Benzene,2-chloro-1-nitro-4-(phenylmethoxy)-, 2-chloro-1-nitro-4-(phenylmethoxy)benzene
| Molecular Formula | C13H10ClNO3 |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 3.8272 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0349 |
| Heavy Atoms | 18 |
| Complexity | 557.4177 |
Chemical Identifiers
| CAS Number | 50545-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
4-(Benzyloxy)-2-chloro-1-nitrobenzene (CAS 50545-45-4), with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol. IUPAC: 2-chloro-1-nitro-4-phenylmethoxybenzene.
Chemical Property Profile of 4-(Benzyloxy)-2-chloro-1-nitrobenzene
Property Insights of 4-(Benzyloxy)-2-chloro-1-nitrobenzene
The XLogP value of 3.8272 indicates that 4-(Benzyloxy)-2-chloro-1-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 4-(Benzyloxy)-2-chloro-1-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyloxy)-2-chloro-1-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-(Benzyloxy)-2-chloro-1-nitrobenzene?
The CAS number of 4-(Benzyloxy)-2-chloro-1-nitrobenzene is 50545-45-4.
What is the molecular formula of 4-(Benzyloxy)-2-chloro-1-nitrobenzene?
The molecular formula of 4-(Benzyloxy)-2-chloro-1-nitrobenzene is C13H10ClNO3.
What is the molecular weight of 4-(Benzyloxy)-2-chloro-1-nitrobenzene?
The molecular weight of 4-(Benzyloxy)-2-chloro-1-nitrobenzene is 263.03 g/mol.
Where can I buy 4-(Benzyloxy)-2-chloro-1-nitrobenzene?
You can request a quote for 4-(Benzyloxy)-2-chloro-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyloxy)-2-chloro-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)-2-chloro-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.