ChemDiv1_023262
TL;DR: ChemDiv1_023262 (CAS 436811-14-2) is a chemical compound with molecular formula C9H14N4O4S and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-4-methylsulfanylbutanoic acid
Also Known As: ChemDiv1_023262, 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-4-methylsulfanyl-butyric acid, TIMTEC-BB SBB007391, 3554AE, BAS 03376626
| Molecular Formula | C9H14N4O4S |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | -0.8171 |
| Topological Polar Surface Area | 110.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.07358 |
| Heavy Atoms | 18 |
| Complexity | 390.76392 |
Chemical Identifiers
| CAS Number | 436811-14-2 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C2C(NC(=O)N2)NC1=O |
Product Overview
ChemDiv1_023262 (CAS 436811-14-2), with molecular formula C9H14N4O4S and molecular weight 274.07 g/mol. IUPAC: 2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of ChemDiv1_023262
Property Insights of ChemDiv1_023262
The XLogP value of -0.8171 indicates that ChemDiv1_023262 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023262. Following Lipinski's Rule of Five, ChemDiv1_023262 has 4 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 ChemDiv1_023262?
The CAS number of ChemDiv1_023262 is 436811-14-2.
What is the molecular formula of ChemDiv1_023262?
The molecular formula of ChemDiv1_023262 is C9H14N4O4S.
What is the molecular weight of ChemDiv1_023262?
The molecular weight of ChemDiv1_023262 is 274.07 g/mol.
Where can I buy ChemDiv1_023262?
You can request a quote for ChemDiv1_023262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023262?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.