Barbituric acid, 5-(5-iodovanillylidene)-2-thio-
TL;DR: Barbituric acid, 5-(5-iodovanillylidene)-2-thio- (CAS 73681-09-1) is a chemical compound with molecular formula C12H9IN2O4S and molecular weight 403.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(5-Iodovanillylidene)-2-thiobarbituric acid, BARBITURIC ACID, 5-(5-IODOVANILLYLIDENE)-2-THIO-, 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((4-hydroxy-3-iodo-5-methoxyphenyl)methylene)-2-thioxo-, 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-sulfanyl
| Molecular Formula | C12H9IN2O4S |
|---|---|
| Molecular Weight | 403.93 g/mol |
| LogP | 0.9197 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.93277 |
| Heavy Atoms | 20 |
| Complexity | 635.10254 |
Chemical Identifiers
| CAS Number | 73681-09-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)O |
Product Overview
Barbituric acid, 5-(5-iodovanillylidene)-2-thio- (CAS 73681-09-1), with molecular formula C12H9IN2O4S and molecular weight 403.93 g/mol. IUPAC: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Barbituric acid, 5-(5-iodovanillylidene)-2-thio-
Property Insights of Barbituric acid, 5-(5-iodovanillylidene)-2-thio-
The XLogP value of 0.9197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(5-iodovanillylidene)-2-thio-. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(5-iodovanillylidene)-2-thio-. Following Lipinski's Rule of Five, Barbituric acid, 5-(5-iodovanillylidene)-2-thio- has 3 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 Barbituric acid, 5-(5-iodovanillylidene)-2-thio-?
The CAS number of Barbituric acid, 5-(5-iodovanillylidene)-2-thio- is 73681-09-1.
What is the molecular formula of Barbituric acid, 5-(5-iodovanillylidene)-2-thio-?
The molecular formula of Barbituric acid, 5-(5-iodovanillylidene)-2-thio- is C12H9IN2O4S.
What is the molecular weight of Barbituric acid, 5-(5-iodovanillylidene)-2-thio-?
The molecular weight of Barbituric acid, 5-(5-iodovanillylidene)-2-thio- is 403.93 g/mol.
Where can I buy Barbituric acid, 5-(5-iodovanillylidene)-2-thio-?
You can request a quote for Barbituric acid, 5-(5-iodovanillylidene)-2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-(5-iodovanillylidene)-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(5-iodovanillylidene)-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.