RefChem:570635
TL;DR: RefChem:570635 (CAS 68399-99-5) is a chemical compound with molecular formula C18H13ClF3N5O3 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
Also Known As: C.I.Pigment Orange 60, 2-[[2-Chloro-5-(trifluoromethyl)phenyl]azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide, AE-641/00782045, 2-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide, Butanamide, 2-((2-chloro-5-(trifluoromethyl)phenyl)azo)-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-
| Molecular Formula | C18H13ClF3N5O3 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.0659 |
| Heavy Atoms | 30 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 68399-99-5 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=C(C=CC(=C3)C(F)(F)F)Cl |
| InChIKey | DZEAVLGCIUOLBY-UHFFFAOYSA-N |
Product Overview
RefChem:570635 (CAS 68399-99-5), with molecular formula C18H13ClF3N5O3 and molecular weight 439.07 g/mol. IUPAC: 2-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
Chemical Property Profile of RefChem:570635
Property Insights of RefChem:570635
The XLogP value of 3.7 indicates that RefChem:570635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:570635. Following Lipinski's Rule of Five, RefChem:570635 has 3 hydrogen bond donor(s) and 8 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 RefChem:570635?
The CAS number of RefChem:570635 is 68399-99-5.
What is the molecular formula of RefChem:570635?
The molecular formula of RefChem:570635 is C18H13ClF3N5O3.
What is the molecular weight of RefChem:570635?
The molecular weight of RefChem:570635 is 439.07 g/mol.
Where can I buy RefChem:570635?
You can request a quote for RefChem:570635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:570635?
Yes, KEHONG BIO provides custom synthesis services for RefChem:570635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.