BAS 04841127
TL;DR: BAS 04841127 (CAS 346451-03-4) is a chemical compound with molecular formula C18H19N5O4S2 and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-5-[(1-ethyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: BAS 04841127, BRD-K20388234-001-07-3, 1-ethyl-5-((1-ethyl-4-hydroxy-2-mercapto-6-oxo-1,6-dihydropyrimidin-5-yl)(pyridin-2-yl)methyl)-6-hydroxy-2-mercaptopyrimidin-4(1H)-one, 1-ethyl-5-[(1-ethyl-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)(pyridin-2-yl)methyl]-6-hydroxy-2-sulfanylpyrimidin-4(1H)-one, 1-ethyl-5-[(1-ethyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C18H19N5O4S2 |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 2.15138 |
| Topological Polar Surface Area | 128.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.08786 |
| Heavy Atoms | 29 |
| Complexity | 1209.3195 |
Chemical Identifiers
| CAS Number | 346451-03-4 |
|---|---|
| SMILES | CCN1C(=C(C(=O)NC1=S)C(C2=CC=CC=N2)C3=C(N(C(=S)NC3=O)CC)O)O |
Product Overview
BAS 04841127 (CAS 346451-03-4), with molecular formula C18H19N5O4S2 and molecular weight 433.09 g/mol. IUPAC: 1-ethyl-5-[(1-ethyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of BAS 04841127
Property Insights of BAS 04841127
The XLogP value of 2.15138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04841127. The TPSA of 128.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04841127. Following Lipinski's Rule of Five, BAS 04841127 has 4 hydrogen bond donor(s) and 7 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 04841127?
The CAS number of BAS 04841127 is 346451-03-4.
What is the molecular formula of BAS 04841127?
The molecular formula of BAS 04841127 is C18H19N5O4S2.
What is the molecular weight of BAS 04841127?
The molecular weight of BAS 04841127 is 433.09 g/mol.
Where can I buy BAS 04841127?
You can request a quote for BAS 04841127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04841127?
Yes, KEHONG BIO provides custom synthesis services for BAS 04841127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.