5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-
TL;DR: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)- (CAS 179034-83-4) is a chemical compound with molecular formula C18H16N4O4S3 and molecular weight 448.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-, J1.195.396D, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R-trans)-, (6R,7R)-3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R)-7alpha-[(Phenylacetyl)amino]-3-[(5-methyl-1,3,4-thiadiazole-2-yl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
| Molecular Formula | C18H16N4O4S3 |
|---|---|
| Molecular Weight | 448.03 g/mol |
| LogP | 1.87742 |
| Topological Polar Surface Area | 112.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.03336 |
| Heavy Atoms | 29 |
| Complexity | 1007.545 |
Chemical Identifiers
| CAS Number | 179034-83-4 |
|---|---|
| SMILES | CC1=NN=C(S1)SC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O |
Product Overview
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)- (CAS 179034-83-4), with molecular formula C18H16N4O4S3 and molecular weight 448.03 g/mol. IUPAC: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-
Property Insights of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-
The XLogP value of 1.87742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-. The TPSA of 112.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-. Following Lipinski's Rule of Five, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)- 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 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-?
The CAS number of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)- is 179034-83-4.
What is the molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-?
The molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)- is C18H16N4O4S3.
What is the molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-?
The molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)- is 448.03 g/mol.
Where can I buy 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-?
You can request a quote for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-8-oxo-7-((phenylacetyl)amino)-, (6R,7R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.