4-氯-间甲苯基-对硝基苯醚
TL;DR: 4-氯-间甲苯基-对硝基苯醚 (CAS 22532-72-5) 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.
4-氯-间甲苯基-对硝基苯醚
1-chloro-2-methyl-4-(4-nitrophenoxy)benzene
Also Known As: 4-chloro-m-tolyl-p-nitrophenyl ether, 1-chloro-2-methyl-4-(4-nitrophenoxy)benzene, Ether, 4-chloro-m-tolyl p-nitrophenyl-, Ether, 4-chloro-m-tolyl p-nitro-, 4-Chloro-3-methylphenyl 4-nitrophenyl ether
| Molecular Formula | C13H10ClNO3 |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0349 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 22532-72-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | MNBIAOIXTNGEQR-UHFFFAOYSA-N |
Product Overview
4-氯-间甲苯基-对硝基苯醚 (CAS 22532-72-5), with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol. IUPAC: 1-chloro-2-methyl-4-(4-nitrophenoxy)benzene.
Chemical Property Profile of 4-氯-间甲苯基-对硝基苯醚
Property Insights of 4-氯-间甲苯基-对硝基苯醚
The XLogP value of 4.8 indicates that 4-氯-间甲苯基-对硝基苯醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 4-氯-间甲苯基-对硝基苯醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-间甲苯基-对硝基苯醚 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-氯-间甲苯基-对硝基苯醚?
The CAS number of 4-氯-间甲苯基-对硝基苯醚 is 22532-72-5.
What is the molecular formula of 4-氯-间甲苯基-对硝基苯醚?
The molecular formula of 4-氯-间甲苯基-对硝基苯醚 is C13H10ClNO3.
What is the molecular weight of 4-氯-间甲苯基-对硝基苯醚?
The molecular weight of 4-氯-间甲苯基-对硝基苯醚 is 263.03 g/mol.
Where can I buy 4-氯-间甲苯基-对硝基苯醚?
You can request a quote for 4-氯-间甲苯基-对硝基苯醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-间甲苯基-对硝基苯醚?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-间甲苯基-对硝基苯醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.