![7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](/static/products/1214/1214196-08-3.webp)
7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
TL;DR: 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214196-08-3) is a chemical compound with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(1,5-dimethyl-1H-pyrazole-4-carboxamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C14H16N4O4S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 0.10062 |
| Topological Polar Surface Area | 104.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.08923 |
| Heavy Atoms | 23 |
| Complexity | 753.95844 |
Chemical Identifiers
| CAS Number | 1214196-08-3 |
|---|---|
| SMILES | CC1=C(N2C(C(C2=O)NC(=O)C3=C(N(N=C3)C)C)SC1)C(=O)O |
Product Overview
7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214196-08-3), with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol. IUPAC: 7-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Property Insights of 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
The XLogP value of 0.10062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. The TPSA of 104.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The CAS number of 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 1214196-08-3.
What is the molecular formula of 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular formula of 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is C14H16N4O4S.
What is the molecular weight of 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular weight of 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 336.09 g/mol.
Where can I buy 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
You can request a quote for 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.