RefChem:1089598
TL;DR: RefChem:1089598 (CAS 3748-16-1) is a chemical compound with molecular formula C12H19IN4O2S and molecular weight 410.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-(2-methylprop-2-enyl)carbamimidothioate;hydroiodide
Also Known As: methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-(2-methylprop-2-en-1-yl)carbamimidothioate hydroiodide(1:1), Methyl N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N'-(2-methylprop-2-en-1-yl)carbamimidothioate--hydrogen iodide (1/1), methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-(2-methylprop-2-enyl)carbamimidothioate hydroiodide, methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-(2-methylprop-2-enyl)carbamimidothioate;hydroiodide, Pseudourea, 2-methyl-3-(2-methylallyl)-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-thio-, monohydriodide
| Molecular Formula | C12H19IN4O2S |
|---|---|
| Molecular Weight | 410.03 g/mol |
| LogP | 1.409 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.02734 |
| Heavy Atoms | 20 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 3748-16-1 |
|---|---|
| SMILES | CC(=C)CN=C(NC1=CN(C(=O)N(C1=O)C)C)SC.I |
| InChIKey | HRXWPJJAUBUFLW-UHFFFAOYSA-N |
Product Overview
RefChem:1089598 (CAS 3748-16-1), with molecular formula C12H19IN4O2S and molecular weight 410.03 g/mol. IUPAC: methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-(2-methylprop-2-enyl)carbamimidothioate;hydroiodide.
Chemical Property Profile of RefChem:1089598
Property Insights of RefChem:1089598
The XLogP value of 1.409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1089598. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089598. Following Lipinski's Rule of Five, RefChem:1089598 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 RefChem:1089598?
The CAS number of RefChem:1089598 is 3748-16-1.
What is the molecular formula of RefChem:1089598?
The molecular formula of RefChem:1089598 is C12H19IN4O2S.
What is the molecular weight of RefChem:1089598?
The molecular weight of RefChem:1089598 is 410.03 g/mol.
Where can I buy RefChem:1089598?
You can request a quote for RefChem:1089598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089598?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.