C19H13Cl2N9O5
TL;DR: C19H13Cl2N9O5 (CAS 835906-09-7) is a chemical compound with molecular formula C19H13Cl2N9O5 and molecular weight 517.04 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)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,5-dichloro-2-methoxybenzylidene)-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H13Cl2N9O5 |
|---|---|
| Molecular Weight | 517.04 g/mol |
| LogP | 2.887 |
| Topological Polar Surface Area | 189.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.0417 |
| Heavy Atoms | 35 |
| Complexity | 1466.9222 |
Chemical Identifiers
| CAS Number | 835906-09-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)Cl)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
C19H13Cl2N9O5 (CAS 835906-09-7), with molecular formula C19H13Cl2N9O5 and molecular weight 517.04 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide.
Chemical Property Profile of C19H13Cl2N9O5
Property Insights of C19H13Cl2N9O5
The XLogP value of 2.887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H13Cl2N9O5. The TPSA of 189.48 Ų indicates high polarity, suggesting C19H13Cl2N9O5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H13Cl2N9O5 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H13Cl2N9O5?
The CAS number of C19H13Cl2N9O5 is 835906-09-7.
What is the molecular formula of C19H13Cl2N9O5?
The molecular formula of C19H13Cl2N9O5 is C19H13Cl2N9O5.
What is the molecular weight of C19H13Cl2N9O5?
The molecular weight of C19H13Cl2N9O5 is 517.04 g/mol.
Where can I buy C19H13Cl2N9O5?
You can request a quote for C19H13Cl2N9O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H13Cl2N9O5?
Yes, KEHONG BIO provides custom synthesis services for C19H13Cl2N9O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.