Cambridge id 5461570
TL;DR: Cambridge id 5461570 (CAS 416865-79-7) is a chemical compound with molecular formula C13H10ClFN2O3 and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-4-fluoroanilino)methyl]-4-nitrophenol
Also Known As: J3.250.567H, 2-{[(3-CHLORO-4-FLUOROPHENYL)AMINO]METHYL}-4-NITROPHENOL, AB00085753-01, 2-[(3-chloro-4-fluoroanilino)methyl]-4-nitrophenol, 2-[(3-Chloro-4-fluoro-phenylamino)-methyl]-4-nitro-phenol
| Molecular Formula | C13H10ClFN2O3 |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0364 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 416865-79-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)F |
| InChIKey | RPEIWPXKGUCCPK-UHFFFAOYSA-N |
Product Overview
Cambridge id 5461570 (CAS 416865-79-7), with molecular formula C13H10ClFN2O3 and molecular weight 296.04 g/mol. IUPAC: 2-[(3-chloro-4-fluoroanilino)methyl]-4-nitrophenol.
Chemical Property Profile of Cambridge id 5461570
Property Insights of Cambridge id 5461570
The XLogP value of 3.6 indicates that Cambridge id 5461570 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5461570. Following Lipinski's Rule of Five, Cambridge id 5461570 has 2 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 Cambridge id 5461570?
The CAS number of Cambridge id 5461570 is 416865-79-7.
What is the molecular formula of Cambridge id 5461570?
The molecular formula of Cambridge id 5461570 is C13H10ClFN2O3.
What is the molecular weight of Cambridge id 5461570?
The molecular weight of Cambridge id 5461570 is 296.04 g/mol.
Where can I buy Cambridge id 5461570?
You can request a quote for Cambridge id 5461570 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5461570?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5461570 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.