A2038/0085643
TL;DR: A2038/0085643 (CAS 5750-67-4) is a chemical compound with molecular formula C24H19BrN12O7 and molecular weight 666.07 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-[[3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
Also Known As: A2038/0085643, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-({3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C24H19BrN12O7 |
|---|---|
| Molecular Weight | 666.07 g/mol |
| LogP | 2.80412 |
| Topological Polar Surface Area | 250.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 666.0683 |
| Heavy Atoms | 44 |
| Complexity | 1929.8661 |
Chemical Identifiers
| CAS Number | 5750-67-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=C(C=C5)[N+](=O)[O-])OC)[N+](=O)[O-])Br |
Product Overview
A2038/0085643 (CAS 5750-67-4), with molecular formula C24H19BrN12O7 and molecular weight 666.07 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide.
Chemical Property Profile of A2038/0085643
Property Insights of A2038/0085643
The XLogP value of 2.80412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2038/0085643. The TPSA of 250.44 Ų indicates high polarity, suggesting A2038/0085643 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2038/0085643 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2038/0085643?
The CAS number of A2038/0085643 is 5750-67-4.
What is the molecular formula of A2038/0085643?
The molecular formula of A2038/0085643 is C24H19BrN12O7.
What is the molecular weight of A2038/0085643?
The molecular weight of A2038/0085643 is 666.07 g/mol.
Where can I buy A2038/0085643?
You can request a quote for A2038/0085643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2038/0085643?
Yes, KEHONG BIO provides custom synthesis services for A2038/0085643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.