ChemDiv1_018027
TL;DR: ChemDiv1_018027 (CAS 442870-90-8) is a chemical compound with molecular formula C17H11Cl2N5O3 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
Also Known As: ChemDiv1_018027, 4-(5-{4-[(2,5-dichlorophenoxy)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine, 4-[5-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine, A2583/0110117, 4-(5-{4-[(2,5-dichlorophenoxy)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadi azole-3-ylamine
| Molecular Formula | C17H11Cl2N5O3 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 4.2546 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0239 |
| Heavy Atoms | 27 |
| Complexity | 1078.3798 |
Chemical Identifiers
| CAS Number | 442870-90-8 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=C(C=CC(=C2)Cl)Cl)C3=NC(=NO3)C4=NON=C4N |
Product Overview
ChemDiv1_018027 (CAS 442870-90-8), with molecular formula C17H11Cl2N5O3 and molecular weight 403.02 g/mol. IUPAC: 4-[5-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
Chemical Property Profile of ChemDiv1_018027
Property Insights of ChemDiv1_018027
The XLogP value of 4.2546 indicates that ChemDiv1_018027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018027. Following Lipinski's Rule of Five, ChemDiv1_018027 has 1 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 ChemDiv1_018027?
The CAS number of ChemDiv1_018027 is 442870-90-8.
What is the molecular formula of ChemDiv1_018027?
The molecular formula of ChemDiv1_018027 is C17H11Cl2N5O3.
What is the molecular weight of ChemDiv1_018027?
The molecular weight of ChemDiv1_018027 is 403.02 g/mol.
Where can I buy ChemDiv1_018027?
You can request a quote for ChemDiv1_018027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018027?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.