Dihydro(phenylmethyl)thioxopyrimidinone
TL;DR: Dihydro(phenylmethyl)thioxopyrimidinone (CAS 33086-27-0) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(cyclohexa-2,4-dien-1-ylmethyl)-7-thia-2,4-diazabicyclo[4.1.0]hepta-1,3-dien-5-one
Also Known As: Benzylthiouracil, Uracil, benzylthio-, Basdene (TN), Dihydro(phenylmethyl)thioxopyrimidinone, Pyrimidinone, dihydro(phenylmethyl)thioxo-
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 33086-27-0 |
|---|---|
| SMILES | C1C=CC=CC1CC23C(=NC=NC2=O)S3 |
| InChIKey | HVSIKZCKLATJAR-UHFFFAOYSA-N |
Product Overview
Dihydro(phenylmethyl)thioxopyrimidinone (CAS 33086-27-0), with molecular formula C11H10N2OS and molecular weight 218.05 g/mol. IUPAC: 6-(cyclohexa-2,4-dien-1-ylmethyl)-7-thia-2,4-diazabicyclo[4.1.0]hepta-1,3-dien-5-one.
Chemical Property Profile of Dihydro(phenylmethyl)thioxopyrimidinone
Property Insights of Dihydro(phenylmethyl)thioxopyrimidinone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydro(phenylmethyl)thioxopyrimidinone. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydro(phenylmethyl)thioxopyrimidinone. Following Lipinski's Rule of Five, Dihydro(phenylmethyl)thioxopyrimidinone has 0 hydrogen bond donor(s) and 2 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 Dihydro(phenylmethyl)thioxopyrimidinone?
The CAS number of Dihydro(phenylmethyl)thioxopyrimidinone is 33086-27-0.
What is the molecular formula of Dihydro(phenylmethyl)thioxopyrimidinone?
The molecular formula of Dihydro(phenylmethyl)thioxopyrimidinone is C11H10N2OS.
What is the molecular weight of Dihydro(phenylmethyl)thioxopyrimidinone?
The molecular weight of Dihydro(phenylmethyl)thioxopyrimidinone is 218.05 g/mol.
Where can I buy Dihydro(phenylmethyl)thioxopyrimidinone?
You can request a quote for Dihydro(phenylmethyl)thioxopyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydro(phenylmethyl)thioxopyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for Dihydro(phenylmethyl)thioxopyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.