ChemDiv1_011429
TL;DR: ChemDiv1_011429 (CAS 312499-48-2) is a chemical compound with molecular formula C17H17N7O4S2 and molecular weight 447.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]triazole-4-carboxylate
Also Known As: ChemDiv1_011429, ZERO/001951, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((6-ethoxybenzo[d]thiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]triazole-4-carboxylate
| Molecular Formula | C17H17N7O4S2 |
|---|---|
| Molecular Weight | 447.08 g/mol |
| LogP | 2.7099 |
| Topological Polar Surface Area | 144.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.07834 |
| Heavy Atoms | 30 |
| Complexity | 1186.1729 |
Chemical Identifiers
| CAS Number | 312499-48-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC3=C(N=NN3C4=NON=C4N)C(=O)OCC |
Product Overview
ChemDiv1_011429 (CAS 312499-48-2), with molecular formula C17H17N7O4S2 and molecular weight 447.08 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]triazole-4-carboxylate.
Chemical Property Profile of ChemDiv1_011429
Property Insights of ChemDiv1_011429
The XLogP value of 2.7099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011429. The TPSA of 144.07 Ų indicates high polarity, suggesting ChemDiv1_011429 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_011429 has 1 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 ChemDiv1_011429?
The CAS number of ChemDiv1_011429 is 312499-48-2.
What is the molecular formula of ChemDiv1_011429?
The molecular formula of ChemDiv1_011429 is C17H17N7O4S2.
What is the molecular weight of ChemDiv1_011429?
The molecular weight of ChemDiv1_011429 is 447.08 g/mol.
Where can I buy ChemDiv1_011429?
You can request a quote for ChemDiv1_011429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011429?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.