護谷
TL;DR: 護谷 (CAS 1836-75-5) is a chemical compound with molecular formula C12H7Cl2NO3 and molecular weight 282.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
護谷
2,4-dichloro-1-(4-nitrophenoxy)benzene
Also Known As: NITROFEN, Nitrochlor, Niclofen, Nitrophen, Trizilin
| Molecular Formula | C12H7Cl2NO3 |
|---|---|
| Molecular Weight | 282.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.9803 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| Melting Point | 158 to 71.1 °C |
| Boiling Point | 356 to 190.0 °C at 0.25 mmHg |
| Density | 1.33 at 90 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | >200 °C c.c. |
| Vapor Pressure | 8e-06 mmHg at 40.0 °C |
Chemical Identifiers
| CAS Number | 1836-75-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | XITQUSLLOSKDTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
護谷 (CAS 1836-75-5), with molecular formula C12H7Cl2NO3 and molecular weight 282.98 g/mol. IUPAC: 2,4-dichloro-1-(4-nitrophenoxy)benzene.
Chemical Property Profile of 護谷
Property Insights of 護谷
The XLogP value of 4.3 indicates that 護谷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 護谷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 護谷 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 護谷?
The CAS number of 護谷 is 1836-75-5.
What is the molecular formula of 護谷?
The molecular formula of 護谷 is C12H7Cl2NO3.
What is the molecular weight of 護谷?
The molecular weight of 護谷 is 282.98 g/mol.
Where can I buy 護谷?
You can request a quote for 護谷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 護谷?
Yes, KEHONG BIO provides custom synthesis services for 護谷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.