![2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid structure](/static/products/301/301674-25-9.png)
2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid
TL;DR: 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid (CAS 301674-25-9) is a chemical compound with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid
Also Known As: 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid, 2-[(6,8-dimethyl-7-oxo-2,4,6,8-tetrazabicyclo[3.3.0]oct-3-en-3-yl)sulfanyl]acetic Acid, [(4,6-dimethyl-5-oxo-1,3a,4,5,6,6a-hexahydroimidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid, 2-((4,6-dimethyl-5-oxo-1,3a,4,5,6,6a-hexahydroimidazo[4,5-d]imidazol-2-yl)thio)acetic acid
| Molecular Formula | C8H12N4O3S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | -0.5872 |
| Topological Polar Surface Area | 85.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.06302 |
| Heavy Atoms | 16 |
| Complexity | 372.29492 |
Chemical Identifiers
| CAS Number | 301674-25-9 |
|---|---|
| SMILES | CN1C2C(N=C(N2)SCC(=O)O)N(C1=O)C |
Product Overview
2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid (CAS 301674-25-9), with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol. IUPAC: 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid
Property Insights of 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid
The XLogP value of -0.5872 indicates that 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic 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 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid?
The CAS number of 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid is 301674-25-9.
What is the molecular formula of 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid is C8H12N4O3S.
What is the molecular weight of 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid is 244.06 g/mol.
Where can I buy 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.