ChemDiv1_025199
TL;DR: ChemDiv1_025199 (CAS 311314-86-0) is a chemical compound with molecular formula C14H21N7O3 and molecular weight 335.17 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-(azepan-1-ylmethyl)triazole-4-carboxylate
Also Known As: ChemDiv1_025199, ZERO/001912, BAS 01578308, 1-(4-Amino-furazan-3-yl)-5-azepan-1-ylmethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C14H21N7O3 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.1706 |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 311314-86-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCCCC3 |
| InChIKey | QHACGIFDGCBLQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv1_025199 (CAS 311314-86-0), with molecular formula C14H21N7O3 and molecular weight 335.17 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)triazole-4-carboxylate.
Chemical Property Profile of ChemDiv1_025199
Property Insights of ChemDiv1_025199
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_025199. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025199. Following Lipinski's Rule of Five, ChemDiv1_025199 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_025199?
The CAS number of ChemDiv1_025199 is 311314-86-0.
What is the molecular formula of ChemDiv1_025199?
The molecular formula of ChemDiv1_025199 is C14H21N7O3.
What is the molecular weight of ChemDiv1_025199?
The molecular weight of ChemDiv1_025199 is 335.17 g/mol.
Where can I buy ChemDiv1_025199?
You can request a quote for ChemDiv1_025199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025199?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.