Bionet1_003045
TL;DR: Bionet1_003045 (CAS 477867-49-5) is a chemical compound with molecular formula C13H12ClF3N6OS and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-methyl-1,3,4-thiadiazol-2-amine
Also Known As: Bionet1_003045, 3-chloro-N-({3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4,5-dihydro-5-isoxazolyl}methyl)-5-(trifluoromethyl)-2-pyridinamine, 1L-922, 3-chloro-N-({3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-5-(trifluoromethyl)pyridin-2-amine, 5-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-methyl-1,3,4-thiadiazol-2-amine
| Molecular Formula | C13H12ClF3N6OS |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 3.2521 |
| Topological Polar Surface Area | 84.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0434 |
| Heavy Atoms | 25 |
| Complexity | 796.31177 |
Chemical Identifiers
| CAS Number | 477867-49-5 |
|---|---|
| SMILES | CNC1=NN=C(S1)C2=NOC(C2)CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
Bionet1_003045 (CAS 477867-49-5), with molecular formula C13H12ClF3N6OS and molecular weight 392.04 g/mol. IUPAC: 5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-methyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of Bionet1_003045
Property Insights of Bionet1_003045
The XLogP value of 3.2521 indicates that Bionet1_003045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003045. Following Lipinski's Rule of Five, Bionet1_003045 has 2 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 Bionet1_003045?
The CAS number of Bionet1_003045 is 477867-49-5.
What is the molecular formula of Bionet1_003045?
The molecular formula of Bionet1_003045 is C13H12ClF3N6OS.
What is the molecular weight of Bionet1_003045?
The molecular weight of Bionet1_003045 is 392.04 g/mol.
Where can I buy Bionet1_003045?
You can request a quote for Bionet1_003045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003045?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.