A1549/0067422
TL;DR: A1549/0067422 (CAS 1098593-84-0) is a chemical compound with molecular formula C22H29N9O4 and molecular weight 483.23 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)-5-(morpholin-4-ylmethyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: A1549/0067422, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-morpholinylmethyl)-N'-[4-(pentyloxy)benzylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N'-{(E)-[4-(pentyloxy)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(MORPHOLIN-4-YL)METHYL]-N'-[(E)-[4-(PENTYLOXY)PHENYL]METHYLIDENE]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE
| Molecular Formula | C22H29N9O4 |
|---|---|
| Molecular Weight | 483.23 g/mol |
| LogP | 1.3976 |
| Topological Polar Surface Area | 158.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 483.23425 |
| Heavy Atoms | 35 |
| Complexity | 1120.4073 |
Chemical Identifiers
| CAS Number | 1098593-84-0 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCOCC4 |
Product Overview
A1549/0067422 (CAS 1098593-84-0), with molecular formula C22H29N9O4 and molecular weight 483.23 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of A1549/0067422
Property Insights of A1549/0067422
The XLogP value of 1.3976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1549/0067422. The TPSA of 158.81 Ų indicates high polarity, suggesting A1549/0067422 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1549/0067422 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 A1549/0067422?
The CAS number of A1549/0067422 is 1098593-84-0.
What is the molecular formula of A1549/0067422?
The molecular formula of A1549/0067422 is C22H29N9O4.
What is the molecular weight of A1549/0067422?
The molecular weight of A1549/0067422 is 483.23 g/mol.
Where can I buy A1549/0067422?
You can request a quote for A1549/0067422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1549/0067422?
Yes, KEHONG BIO provides custom synthesis services for A1549/0067422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.