sec-butylglyoxal
TL;DR: sec-butylglyoxal (CAS 107464-71-1) is a chemical compound with molecular formula C20H31ClN4O4S2 and molecular weight 490.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-chloro-4-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)sulfamoyl]phenyl]sulfanylacetic acid;2,6-dimethylpiperidine
Also Known As: sec-butylglyoxal, Acetic acid, ((5-chloro-2-(((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)sulfonyl)-4-methylphenyl)thio)-, compd. with 2,6-dimethylpiperidine (1:1), 2-[5-chloro-4-methyl-2-[(4-methyl-4,5-dihydro-3H-imidazol-2-yl)sulfamoyl]phenyl]sulfanylacetic acid; 2,6-dimethylpiperidine, ({5-Chloro-4-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)sulfamoyl]phenyl}sulfanyl)acetic acid--2,6-dimethylpiperidine (1/1), 2-[5-chloro-4-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)sulfamoyl]phenyl]sulfanylacetic acid,2,6-dimethylpiperidine
| Molecular Formula | C20H31ClN4O4S2 |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | 2.98802 |
| Topological Polar Surface Area | 119.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.14752 |
| Heavy Atoms | 31 |
| Complexity | 916.00006 |
Chemical Identifiers
| CAS Number | 107464-71-1 |
|---|---|
| SMILES | CC1CCCC(N1)C.CC1CN=C(N1)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)SCC(=O)O |
Product Overview
sec-butylglyoxal (CAS 107464-71-1), with molecular formula C20H31ClN4O4S2 and molecular weight 490.15 g/mol. IUPAC: 2-[5-chloro-4-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)sulfamoyl]phenyl]sulfanylacetic acid;2,6-dimethylpiperidine.
Chemical Property Profile of sec-butylglyoxal
Property Insights of sec-butylglyoxal
The XLogP value of 2.98802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-butylglyoxal. The TPSA of 119.89 Ų falls within the moderate polarity range, balancing permeability and solubility for sec-butylglyoxal. Following Lipinski's Rule of Five, sec-butylglyoxal has 4 hydrogen bond donor(s) and 7 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 sec-butylglyoxal?
The CAS number of sec-butylglyoxal is 107464-71-1.
What is the molecular formula of sec-butylglyoxal?
The molecular formula of sec-butylglyoxal is C20H31ClN4O4S2.
What is the molecular weight of sec-butylglyoxal?
The molecular weight of sec-butylglyoxal is 490.15 g/mol.
Where can I buy sec-butylglyoxal?
You can request a quote for sec-butylglyoxal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-butylglyoxal?
Yes, KEHONG BIO provides custom synthesis services for sec-butylglyoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.