BAS 04842009
TL;DR: BAS 04842009 (CAS 309276-82-2) is a chemical compound with molecular formula C16H15N5O4S2 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-1-methyl-2-sulfanylidenepyrimidin-4-one
Also Known As: BAS 04842009, 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-1-methyl-2-sulfanylidenepyrimidin-4-one, 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(2-pyridinyl)methyl]-1-methyl-2-sulfanylidene-4-pyrimidinone, 5,5'-(2-pyridinylmethylene)bis(6-hydroxy-2-mercapto-3-methyl-4(3H)-pyrimidinone), 5,5'-(pyridin-2-ylmethylene)bis(6-hydroxy-2-mercapto-1-methylpyrimidin-4(1H)-one)
| Molecular Formula | C16H15N5O4S2 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 1.18558 |
| Topological Polar Surface Area | 128.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.05655 |
| Heavy Atoms | 27 |
| Complexity | 1177.5181 |
Chemical Identifiers
| CAS Number | 309276-82-2 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=S)C(C2=CC=CC=N2)C3=C(N(C(=S)NC3=O)C)O)O |
Product Overview
BAS 04842009 (CAS 309276-82-2), with molecular formula C16H15N5O4S2 and molecular weight 405.06 g/mol. IUPAC: 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-1-methyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of BAS 04842009
Property Insights of BAS 04842009
The XLogP value of 1.18558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04842009. The TPSA of 128.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04842009. Following Lipinski's Rule of Five, BAS 04842009 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 04842009?
The CAS number of BAS 04842009 is 309276-82-2.
What is the molecular formula of BAS 04842009?
The molecular formula of BAS 04842009 is C16H15N5O4S2.
What is the molecular weight of BAS 04842009?
The molecular weight of BAS 04842009 is 405.06 g/mol.
Where can I buy BAS 04842009?
You can request a quote for BAS 04842009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04842009?
Yes, KEHONG BIO provides custom synthesis services for BAS 04842009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.