Desmethylharmaline
TL;DR: Desmethylharmaline (CAS 31652-54-7) is a chemical compound with molecular formula C10H16N4O2S and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-propan-2-ylthiourea
Also Known As: Desmethylharmaline, 1-Isopropyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-2-thiourea, Urea, 1-isopropyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-2-thio-, 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-propan-2-ylthiourea, 1-(2,4-Diketo-1,3-dimethyl-1,2,3,4-tetrahydropyrimidin-6-yl)-3-isopropyl-2-thiourea
| Molecular Formula | C10H16N4O2S |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | -0.2212 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0994 |
| Heavy Atoms | 17 |
| Complexity | 544.21735 |
Chemical Identifiers
| CAS Number | 31652-54-7 |
|---|---|
| SMILES | CC(C)NC(=S)NC1=CC(=O)N(C(=O)N1C)C |
Product Overview
Desmethylharmaline (CAS 31652-54-7), with molecular formula C10H16N4O2S and molecular weight 256.10 g/mol. IUPAC: 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-propan-2-ylthiourea.
Chemical Property Profile of Desmethylharmaline
Property Insights of Desmethylharmaline
The XLogP value of -0.2212 indicates that Desmethylharmaline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethylharmaline. Following Lipinski's Rule of Five, Desmethylharmaline has 2 hydrogen bond donor(s) and 3 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 Desmethylharmaline?
The CAS number of Desmethylharmaline is 31652-54-7.
What is the molecular formula of Desmethylharmaline?
The molecular formula of Desmethylharmaline is C10H16N4O2S.
What is the molecular weight of Desmethylharmaline?
The molecular weight of Desmethylharmaline is 256.10 g/mol.
Where can I buy Desmethylharmaline?
You can request a quote for Desmethylharmaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylharmaline?
Yes, KEHONG BIO provides custom synthesis services for Desmethylharmaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.