5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol
TL;DR: 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol (CAS 57737-29-8) is a chemical compound with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: BAS 00404020, BIM-0029109.P001, 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol, 5-(4-isobutoxybenzyl)-2-mercapto-4,6-pyrimidinediol, 5-(4-isobutoxybenzyl)-2-mercaptopyrimidine-4,6-diol
| Molecular Formula | C15H18N2O3S |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 2.76369 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.10382 |
| Heavy Atoms | 21 |
| Complexity | 716.93396 |
Chemical Identifiers
| CAS Number | 57737-29-8 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)O |
Product Overview
5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol (CAS 57737-29-8), with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol. IUPAC: 6-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol
Property Insights of 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol
The XLogP value of 2.76369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol 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 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol?
The CAS number of 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol is 57737-29-8.
What is the molecular formula of 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol?
The molecular formula of 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol is C15H18N2O3S.
What is the molecular weight of 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol?
The molecular weight of 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol is 306.10 g/mol.
Where can I buy 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol?
You can request a quote for 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.