alpha-hydroxycaproic acid
TL;DR: alpha-hydroxycaproic acid (CAS 6340-33-6) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-diethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: alpha-hydroxycaproic acid, 4,6(1h,5h)-pyrimidinedione, 5-[(2,4-diethoxyphenyl)methylene]dihydro-1,3-dimethyl-2-thioxo-, 5-[(2,4-diethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(2,4-diethoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-(2,4-diethoxybenzylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 6340-33-6 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)OCC |
| InChIKey | WQATYLDOFDXNSB-UHFFFAOYSA-N |
Product Overview
alpha-hydroxycaproic acid (CAS 6340-33-6), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: 5-[(2,4-diethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of alpha-hydroxycaproic acid
Property Insights of alpha-hydroxycaproic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-hydroxycaproic acid. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-hydroxycaproic acid. Following Lipinski's Rule of Five, alpha-hydroxycaproic acid has 0 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 alpha-hydroxycaproic acid?
The CAS number of alpha-hydroxycaproic acid is 6340-33-6.
What is the molecular formula of alpha-hydroxycaproic acid?
The molecular formula of alpha-hydroxycaproic acid is C17H20N2O4S.
What is the molecular weight of alpha-hydroxycaproic acid?
The molecular weight of alpha-hydroxycaproic acid is 348.11 g/mol.
Where can I buy alpha-hydroxycaproic acid?
You can request a quote for alpha-hydroxycaproic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-hydroxycaproic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-hydroxycaproic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.