ChemDiv1_025475
TL;DR: ChemDiv1_025475 (CAS 312281-48-4) is a chemical compound with molecular formula C11H17N7O3 and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)triazole-4-carboxylate
Also Known As: ChemDiv1_025475, ZERO/003021, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1{H}-1,2,3-triazole-4-carboxylate
| Molecular Formula | C11H17N7O3 |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.13928 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 312281-48-4 |
|---|---|
| SMILES | CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)OC |
| InChIKey | QSEDTBNFQLWZSQ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_025475 (CAS 312281-48-4), with molecular formula C11H17N7O3 and molecular weight 295.14 g/mol. IUPAC: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)triazole-4-carboxylate.
Chemical Property Profile of ChemDiv1_025475
Property Insights of ChemDiv1_025475
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_025475. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025475. Following Lipinski's Rule of Five, ChemDiv1_025475 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025475?
The CAS number of ChemDiv1_025475 is 312281-48-4.
What is the molecular formula of ChemDiv1_025475?
The molecular formula of ChemDiv1_025475 is C11H17N7O3.
What is the molecular weight of ChemDiv1_025475?
The molecular weight of ChemDiv1_025475 is 295.14 g/mol.
Where can I buy ChemDiv1_025475?
You can request a quote for ChemDiv1_025475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025475?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.