BRD-K65672831-001-01-6
TL;DR: BRD-K65672831-001-01-6 (CAS 862129-22-4) is a chemical compound with molecular formula C16H11FN8O2S and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
Also Known As: BRD-K65672831-001-01-6, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-fluorobenzylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
| Molecular Formula | C16H11FN8O2S |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 1.864 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.07098 |
| Heavy Atoms | 28 |
| Complexity | 1151.3378 |
Chemical Identifiers
| CAS Number | 862129-22-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)F |
Product Overview
BRD-K65672831-001-01-6 (CAS 862129-22-4), with molecular formula C16H11FN8O2S and molecular weight 398.07 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide.
Chemical Property Profile of BRD-K65672831-001-01-6
Property Insights of BRD-K65672831-001-01-6
The XLogP value of 1.864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K65672831-001-01-6. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K65672831-001-01-6. Following Lipinski's Rule of Five, BRD-K65672831-001-01-6 has 2 hydrogen bond donor(s) and 9 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 BRD-K65672831-001-01-6?
The CAS number of BRD-K65672831-001-01-6 is 862129-22-4.
What is the molecular formula of BRD-K65672831-001-01-6?
The molecular formula of BRD-K65672831-001-01-6 is C16H11FN8O2S.
What is the molecular weight of BRD-K65672831-001-01-6?
The molecular weight of BRD-K65672831-001-01-6 is 398.07 g/mol.
Where can I buy BRD-K65672831-001-01-6?
You can request a quote for BRD-K65672831-001-01-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K65672831-001-01-6?
Yes, KEHONG BIO provides custom synthesis services for BRD-K65672831-001-01-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.