![1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide structure](/static/products/5855/585557-83-1.webp)
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide (CAS 585557-83-1) is a chemical compound with molecular formula C23H23N9O6 and molecular weight 521.18 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-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
| Molecular Formula | C23H23N9O6 |
|---|---|
| Molecular Weight | 521.18 g/mol |
| LogP | 0.8382 |
| Topological Polar Surface Area | 207.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 521.1771 |
| Heavy Atoms | 38 |
| Complexity | 1434.4186 |
Chemical Identifiers
| CAS Number | 585557-83-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=CC=C4)OCC(=O)N |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide (CAS 585557-83-1), with molecular formula C23H23N9O6 and molecular weight 521.18 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
The XLogP value of 0.8382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide. The TPSA of 207.89 Ų indicates high polarity, suggesting 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide has 3 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 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide is 585557-83-1.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide is C23H23N9O6.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide is 521.18 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide?
You can request a quote for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.