BAS 00924214
TL;DR: BAS 00924214 (CAS 313248-70-3) is a chemical compound with molecular formula C13H15N5O5S and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate
Also Known As: BAS 00924214, ethyl 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate, ethyl 2-[({3-nitro-1H-1,2,4-triazol-1-yl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate, ethyl 4,5-dimethyl-2-(2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[2-(3-nitro(1,2,4-triazolyl))acetylamino]thiophene-3-carb oxylate
| Molecular Formula | C13H15N5O5S |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 1.68004 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.07938 |
| Heavy Atoms | 24 |
| Complexity | 796.77277 |
Chemical Identifiers
| CAS Number | 313248-70-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC(=N2)[N+](=O)[O-] |
Product Overview
BAS 00924214 (CAS 313248-70-3), with molecular formula C13H15N5O5S and molecular weight 353.08 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00924214
Property Insights of BAS 00924214
The XLogP value of 1.68004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00924214. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00924214. Following Lipinski's Rule of Five, BAS 00924214 has 1 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 00924214?
The CAS number of BAS 00924214 is 313248-70-3.
What is the molecular formula of BAS 00924214?
The molecular formula of BAS 00924214 is C13H15N5O5S.
What is the molecular weight of BAS 00924214?
The molecular weight of BAS 00924214 is 353.08 g/mol.
Where can I buy BAS 00924214?
You can request a quote for BAS 00924214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924214?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.