1-BENZYL-5,6-DIAMINO-2-THIOURACIL
TL;DR: 1-BENZYL-5,6-DIAMINO-2-THIOURACIL (CAS 59008-19-4) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diamino-1-benzyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-BENZYL-5,6-DIAMINO-2-THIOURACIL, 5,6-Diamino-1-benzyl-2-sulfanylidene-pyrimidin-4-one, 5,6-diamino-1-benzyl-2-sulfanylidenepyrimidin-4-one, 5,6-diamino-2-mercapto-1-(phenylmethyl)-4(1H)-pyrimidinone, 5,6-Diamino-1-benzyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 1.11859 |
| Topological Polar Surface Area | 89.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 644.7564 |
Chemical Identifiers
| CAS Number | 59008-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=S)N)N |
Product Overview
1-BENZYL-5,6-DIAMINO-2-THIOURACIL (CAS 59008-19-4), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 5,6-diamino-1-benzyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-BENZYL-5,6-DIAMINO-2-THIOURACIL
Property Insights of 1-BENZYL-5,6-DIAMINO-2-THIOURACIL
The XLogP value of 1.11859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-BENZYL-5,6-DIAMINO-2-THIOURACIL. The TPSA of 89.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-BENZYL-5,6-DIAMINO-2-THIOURACIL. Following Lipinski's Rule of Five, 1-BENZYL-5,6-DIAMINO-2-THIOURACIL 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 1-BENZYL-5,6-DIAMINO-2-THIOURACIL?
The CAS number of 1-BENZYL-5,6-DIAMINO-2-THIOURACIL is 59008-19-4.
What is the molecular formula of 1-BENZYL-5,6-DIAMINO-2-THIOURACIL?
The molecular formula of 1-BENZYL-5,6-DIAMINO-2-THIOURACIL is C11H12N4OS.
What is the molecular weight of 1-BENZYL-5,6-DIAMINO-2-THIOURACIL?
The molecular weight of 1-BENZYL-5,6-DIAMINO-2-THIOURACIL is 248.07 g/mol.
Where can I buy 1-BENZYL-5,6-DIAMINO-2-THIOURACIL?
You can request a quote for 1-BENZYL-5,6-DIAMINO-2-THIOURACIL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-BENZYL-5,6-DIAMINO-2-THIOURACIL?
Yes, KEHONG BIO provides custom synthesis services for 1-BENZYL-5,6-DIAMINO-2-THIOURACIL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.