![3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](/static/products/1214/1214237-31-6.webp)
3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
TL;DR: 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214237-31-6) is a chemical compound with molecular formula C23H16F4N4O6S3 and molecular weight 616.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-{[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL}-8-OXO-7-[({5-[(2,3,5,6-TETRAFLUOROPHENOXY)METHYL]-2-FURYL}CARBONYL)AMINO]-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[({5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-yl}carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C23H16F4N4O6S3 |
|---|---|
| Molecular Weight | 616.02 g/mol |
| LogP | 3.71942 |
| Topological Polar Surface Area | 134.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 616.0168 |
| Heavy Atoms | 40 |
| Complexity | 1534.7983 |
Chemical Identifiers
| CAS Number | 1214237-31-6 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CC=C(O4)COC5=C(C(=CC(=C5F)F)F)F)SC2)C(=O)O |
Product Overview
3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214237-31-6), with molecular formula C23H16F4N4O6S3 and molecular weight 616.02 g/mol. IUPAC: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Property Insights of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
The XLogP value of 3.71942 indicates that 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The CAS number of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 1214237-31-6.
What is the molecular formula of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular formula of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is C23H16F4N4O6S3.
What is the molecular weight of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular weight of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 616.02 g/mol.
Where can I buy 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
You can request a quote for 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-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 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(5-((2,3,5,6-tetrafluorophenoxy)methyl)furan-2-carboxamido)-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.