BAS 00334122
TL;DR: BAS 00334122 (CAS 55342-48-8) is a chemical compound with molecular formula C18H24N2O3S and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: BAS 00334122, 6-(ethoxymethyl)-5-(4-isobutoxybenzyl)-2-mercaptopyrimidin-4-ol, 6-(ethoxymethyl)-5-(4-isobutoxybenzyl)-2-sulfanyl-4-pyrimidinol, 6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one, 6-Ethoxymethyl-5-(4-isobutoxy-benzyl)-2-mercapto-pyrimidin-4-ol
| Molecular Formula | C18H24N2O3S |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 3.59459 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.15076 |
| Heavy Atoms | 24 |
| Complexity | 763.0687 |
Chemical Identifiers
| CAS Number | 55342-48-8 |
|---|---|
| SMILES | CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OCC(C)C |
Product Overview
BAS 00334122 (CAS 55342-48-8), with molecular formula C18H24N2O3S and molecular weight 348.15 g/mol. IUPAC: 6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of BAS 00334122
Property Insights of BAS 00334122
The XLogP value of 3.59459 indicates that BAS 00334122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00334122. Following Lipinski's Rule of Five, BAS 00334122 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 BAS 00334122?
The CAS number of BAS 00334122 is 55342-48-8.
What is the molecular formula of BAS 00334122?
The molecular formula of BAS 00334122 is C18H24N2O3S.
What is the molecular weight of BAS 00334122?
The molecular weight of BAS 00334122 is 348.15 g/mol.
Where can I buy BAS 00334122?
You can request a quote for BAS 00334122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00334122?
Yes, KEHONG BIO provides custom synthesis services for BAS 00334122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.