![5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid structure](/static/products/518/518035-85-3.png)
5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid
TL;DR: 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid (CAS 518035-85-3) is a chemical compound with molecular formula C10H7IN2O3S and molecular weight 361.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-cyano-3-(iodomethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carboxylic acid
Also Known As: 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid, 8-cyano-3-(iodomethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carboxylic acid, 8-cyano-3-(iodomethyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylic acid, 8-cyano-3-(iodomethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylic acid
| Molecular Formula | C10H7IN2O3S |
|---|---|
| Molecular Weight | 361.92 g/mol |
| LogP | 1.49998 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.9222 |
| Heavy Atoms | 17 |
| Complexity | 590.4394 |
Chemical Identifiers
| CAS Number | 518035-85-3 |
|---|---|
| SMILES | C1C(N2C(=C(C=C(C2=O)C(=O)O)C#N)S1)CI |
Product Overview
5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid (CAS 518035-85-3), with molecular formula C10H7IN2O3S and molecular weight 361.92 g/mol. IUPAC: 8-cyano-3-(iodomethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carboxylic acid.
Chemical Property Profile of 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid
Property Insights of 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid
The XLogP value of 1.49998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid. Following Lipinski's Rule of Five, 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid has 1 hydrogen bond donor(s) and 4 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-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid?
The CAS number of 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid is 518035-85-3.
What is the molecular formula of 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid?
The molecular formula of 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid is C10H7IN2O3S.
What is the molecular weight of 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid?
The molecular weight of 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid is 361.92 g/mol.
Where can I buy 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid?
You can request a quote for 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-9-(iodomethyl)-2-oxo-7-thia-1-azabicyclo[4.3.0]nona-3,5-diene-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.