BRD-K59791078-001-04-8
TL;DR: BRD-K59791078-001-04-8 (CAS 497229-26-2) is a chemical compound with molecular formula C19H23N9O3 and molecular weight 425.19 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-ethoxyphenyl)methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
Also Known As: BRD-K59791078-001-04-8, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-ethoxybenzylidene)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-ethoxyphenyl)methylidene]-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-(2-ETHOXYPHENYL)METHYLIDENE]-5-[(PYRROLIDIN-1-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
| Molecular Formula | C19H23N9O3 |
|---|---|
| Molecular Weight | 425.19 g/mol |
| LogP | 0.9909 |
| Topological Polar Surface Area | 149.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.19238 |
| Heavy Atoms | 31 |
| Complexity | 1069.2704 |
Chemical Identifiers
| CAS Number | 497229-26-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCC4 |
Product Overview
BRD-K59791078-001-04-8 (CAS 497229-26-2), with molecular formula C19H23N9O3 and molecular weight 425.19 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide.
Chemical Property Profile of BRD-K59791078-001-04-8
Property Insights of BRD-K59791078-001-04-8
The XLogP value of 0.9909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K59791078-001-04-8. The TPSA of 149.58 Ų indicates high polarity, suggesting BRD-K59791078-001-04-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-K59791078-001-04-8 has 2 hydrogen bond donor(s) and 10 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-K59791078-001-04-8?
The CAS number of BRD-K59791078-001-04-8 is 497229-26-2.
What is the molecular formula of BRD-K59791078-001-04-8?
The molecular formula of BRD-K59791078-001-04-8 is C19H23N9O3.
What is the molecular weight of BRD-K59791078-001-04-8?
The molecular weight of BRD-K59791078-001-04-8 is 425.19 g/mol.
Where can I buy BRD-K59791078-001-04-8?
You can request a quote for BRD-K59791078-001-04-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K59791078-001-04-8?
Yes, KEHONG BIO provides custom synthesis services for BRD-K59791078-001-04-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.