Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-
TL;DR: Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl- (CAS 80022-78-2) is a chemical compound with molecular formula C13H13IN2O4 and molecular weight 387.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxy-3-iodopropyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(2-Hydroxy-3-iodopropyl)-5-phenylbarbituric acid, 4-25-00-00476 (Beilstein Handbook Reference), BARBITURIC ACID, 5-(2-HYDROXY-3-IODOPROPYL)-5-PHENYL-, Kwas 5-fenylo-5-(beta-hydroksy-gamma-jodo-propylo)barbiturowy, Kwas 5-fenylo-5-(beta-hydroksy-gamma-jodo-propylo)barbiturowy [Polish]
| Molecular Formula | C13H13IN2O4 |
|---|---|
| Molecular Weight | 387.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.992 |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 80022-78-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)CC(CI)O |
| InChIKey | HCPMGMWYWSZOAW-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl- (CAS 80022-78-2), with molecular formula C13H13IN2O4 and molecular weight 387.99 g/mol. IUPAC: 5-(2-hydroxy-3-iodopropyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-
Property Insights of Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl- has 3 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 Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-?
The CAS number of Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl- is 80022-78-2.
What is the molecular formula of Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-?
The molecular formula of Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl- is C13H13IN2O4.
What is the molecular weight of Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-?
The molecular weight of Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl- is 387.99 g/mol.
Where can I buy Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl-?
You can request a quote for Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl- 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-(2-hydroxy-3-iodopropyl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.