5-(3-Iodoacetonyl)-5-isopropylbarbituric acid
TL;DR: 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid (CAS 99074-75-6) is a chemical compound with molecular formula C10H13IN2O4 and molecular weight 351.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(iodomethyl)-8-methyl-9-oxa-2,4-diazaspiro[5.5]undecane-1,3,5-trione
Also Known As: 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid, 4-27-00-07804 (Beilstein Handbook Reference), 9-Oxa-2,4-diazaspiro(5.5)undecane-1,3,5-trione, 8-(iodomethyl)-10-methyl-, 2'-Iodomethyl-6'-methyl-2',3',5',6'-tetrahydropyrano-(4'-spiro-5)-barbituric acid, 2'-Jodometylo-6'-metylo-2',3',5',6'-tetrahydropirano-(4'-spiro-5)-barbiturowy [Polish]
| Molecular Formula | C10H13IN2O4 |
|---|---|
| Molecular Weight | 351.99 g/mol |
| LogP | 0.3413 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.992 |
| Heavy Atoms | 17 |
| Complexity | 364.5022 |
Chemical Identifiers
| CAS Number | 99074-75-6 |
|---|---|
| SMILES | CC1CC2(CC(O1)CI)C(=O)NC(=O)NC2=O |
Product Overview
5-(3-Iodoacetonyl)-5-isopropylbarbituric acid (CAS 99074-75-6), with molecular formula C10H13IN2O4 and molecular weight 351.99 g/mol. IUPAC: 10-(iodomethyl)-8-methyl-9-oxa-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
Chemical Property Profile of 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid
Property Insights of 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid
The XLogP value of 0.3413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid. Following Lipinski's Rule of Five, 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid has 2 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 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid?
The CAS number of 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid is 99074-75-6.
What is the molecular formula of 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid?
The molecular formula of 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid is C10H13IN2O4.
What is the molecular weight of 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid?
The molecular weight of 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid is 351.99 g/mol.
Where can I buy 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid?
You can request a quote for 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Iodoacetonyl)-5-isopropylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.