BAS 00385999
TL;DR: BAS 00385999 (CAS 55342-46-6) is a chemical compound with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: BAS 00385999, 6-(ethoxymethyl)-5-(4-isopropoxybenzyl)-2-mercaptopyrimidin-4-ol, 6-(Ethoxymethyl)-5-(4-isopropoxybenzyl)-2-sulfanyl-4-pyrimidinol, 6-(Ethoxymethyl)-5-(4-isopropoxybenzyl)-2-sulfanyl-4-pyrimidinol #, 6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C17H22N2O3S |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 3.34699 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.1351 |
| Heavy Atoms | 23 |
| Complexity | 747.6692 |
Chemical Identifiers
| CAS Number | 55342-46-6 |
|---|---|
| SMILES | CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OC(C)C |
Product Overview
BAS 00385999 (CAS 55342-46-6), with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol. IUPAC: 6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of BAS 00385999
Property Insights of BAS 00385999
The XLogP value of 3.34699 indicates that BAS 00385999 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 00385999. Following Lipinski's Rule of Five, BAS 00385999 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 00385999?
The CAS number of BAS 00385999 is 55342-46-6.
What is the molecular formula of BAS 00385999?
The molecular formula of BAS 00385999 is C17H22N2O3S.
What is the molecular weight of BAS 00385999?
The molecular weight of BAS 00385999 is 334.14 g/mol.
Where can I buy BAS 00385999?
You can request a quote for BAS 00385999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00385999?
Yes, KEHONG BIO provides custom synthesis services for BAS 00385999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.