ChemDiv3_014554
TL;DR: ChemDiv3_014554 (CAS 892763-15-4) is a chemical compound with molecular formula C18H13ClN6O3 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(5-chloro-2-methylphenyl)triazol-4-amine
Also Known As: ChemDiv3_014554, IDI1_030352, VU0626533-1, 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazol-5-amine, F3407-2472
| Molecular Formula | C18H13ClN6O3 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 3.25702 |
| Topological Polar Surface Area | 114.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.07376 |
| Heavy Atoms | 28 |
| Complexity | 1202.0067 |
Chemical Identifiers
| CAS Number | 892763-15-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2C(=C(N=N2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5)N |
Product Overview
ChemDiv3_014554 (CAS 892763-15-4), with molecular formula C18H13ClN6O3 and molecular weight 396.07 g/mol. IUPAC: 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(5-chloro-2-methylphenyl)triazol-4-amine.
Chemical Property Profile of ChemDiv3_014554
Property Insights of ChemDiv3_014554
The XLogP value of 3.25702 indicates that ChemDiv3_014554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014554. Following Lipinski's Rule of Five, ChemDiv3_014554 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 ChemDiv3_014554?
The CAS number of ChemDiv3_014554 is 892763-15-4.
What is the molecular formula of ChemDiv3_014554?
The molecular formula of ChemDiv3_014554 is C18H13ClN6O3.
What is the molecular weight of ChemDiv3_014554?
The molecular weight of ChemDiv3_014554 is 396.07 g/mol.
Where can I buy ChemDiv3_014554?
You can request a quote for ChemDiv3_014554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014554?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.