BAS 00231322
TL;DR: BAS 00231322 (CAS 5486-41-9) is a chemical compound with molecular formula C14H17N5O4 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-benzylcarbonimidoyl]amino]oxyacetate
Also Known As: BAS 00231322, BIM-0022206.P001, ethyl 2-[[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-benzylcarbonimidoyl]amino]oxyacetate, ethyl ({[(4-amino-1,2,5-oxadiazol-3-yl)(benzylamino)methylene]amino}oxy)acetate, [(4-Amino-N-benzyl-furazan-3-carboximidoyl)-aminooxy]-acetic acid ethyl ester
| Molecular Formula | C14H17N5O4 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 0.6829 |
| Topological Polar Surface Area | 124.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.12805 |
| Heavy Atoms | 23 |
| Complexity | 656.1971 |
Chemical Identifiers
| CAS Number | 5486-41-9 |
|---|---|
| SMILES | CCOC(=O)CONC(=NCC1=CC=CC=C1)C2=NON=C2N |
Product Overview
BAS 00231322 (CAS 5486-41-9), with molecular formula C14H17N5O4 and molecular weight 319.13 g/mol. IUPAC: ethyl 2-[[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-benzylcarbonimidoyl]amino]oxyacetate.
Chemical Property Profile of BAS 00231322
Property Insights of BAS 00231322
The XLogP value of 0.6829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00231322. The TPSA of 124.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00231322. Following Lipinski's Rule of Five, BAS 00231322 has 2 hydrogen bond donor(s) and 8 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 BAS 00231322?
The CAS number of BAS 00231322 is 5486-41-9.
What is the molecular formula of BAS 00231322?
The molecular formula of BAS 00231322 is C14H17N5O4.
What is the molecular weight of BAS 00231322?
The molecular weight of BAS 00231322 is 319.13 g/mol.
Where can I buy BAS 00231322?
You can request a quote for BAS 00231322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00231322?
Yes, KEHONG BIO provides custom synthesis services for BAS 00231322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.