A2012/0084486
TL;DR: A2012/0084486 (CAS 321838-19-1) is a chemical compound with molecular formula C19H18ClN11O5 and molecular weight 515.12 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)-[3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-methyltriazole-4-carboxamide
Also Known As: A2012/0084486, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-methyltriazole-4-carboxamide
| Molecular Formula | C19H18ClN11O5 |
|---|---|
| Molecular Weight | 515.12 g/mol |
| LogP | 1.42824 |
| Topological Polar Surface Area | 207.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.1181 |
| Heavy Atoms | 36 |
| Complexity | 1488.9689 |
Chemical Identifiers
| CAS Number | 321838-19-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=O)C3=C(N(N=N3)C4=NON=C4N)C)OC)[N+](=O)[O-])Cl |
Product Overview
A2012/0084486 (CAS 321838-19-1), with molecular formula C19H18ClN11O5 and molecular weight 515.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-methyltriazole-4-carboxamide.
Chemical Property Profile of A2012/0084486
Property Insights of A2012/0084486
The XLogP value of 1.42824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2012/0084486. The TPSA of 207.3 Ų indicates high polarity, suggesting A2012/0084486 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2012/0084486 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2012/0084486?
The CAS number of A2012/0084486 is 321838-19-1.
What is the molecular formula of A2012/0084486?
The molecular formula of A2012/0084486 is C19H18ClN11O5.
What is the molecular weight of A2012/0084486?
The molecular weight of A2012/0084486 is 515.12 g/mol.
Where can I buy A2012/0084486?
You can request a quote for A2012/0084486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2012/0084486?
Yes, KEHONG BIO provides custom synthesis services for A2012/0084486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.