BAS 04833770
TL;DR: BAS 04833770 (CAS 346451-04-5) is a chemical compound with molecular formula C20H19N5O4S2 and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: BAS 04833770, 1-allyl-5-((1-allyl-4-hydroxy-2-mercapto-6-oxo-1,6-dihydropyrimidin-5-yl)(pyridin-2-yl)methyl)-6-hydroxy-2-mercaptopyrimidin-4(1H)-one, 6-hydroxy-5-[(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one, 6-hydroxy-5-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5-yl](pyridin-2-yl)methyl}-1-(prop-2-en-1-yl)-2-sulfanylpyrimidin-4(1H)-one
| Molecular Formula | C20H19N5O4S2 |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 2.48358 |
| Topological Polar Surface Area | 128.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.08786 |
| Heavy Atoms | 31 |
| Complexity | 1298.395 |
Chemical Identifiers
| CAS Number | 346451-04-5 |
|---|---|
| SMILES | C=CCN1C(=C(C(=O)NC1=S)C(C2=CC=CC=N2)C3=C(N(C(=S)NC3=O)CC=C)O)O |
Product Overview
BAS 04833770 (CAS 346451-04-5), with molecular formula C20H19N5O4S2 and molecular weight 457.09 g/mol. IUPAC: 6-hydroxy-5-[(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of BAS 04833770
Property Insights of BAS 04833770
The XLogP value of 2.48358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04833770. The TPSA of 128.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04833770. Following Lipinski's Rule of Five, BAS 04833770 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 04833770?
The CAS number of BAS 04833770 is 346451-04-5.
What is the molecular formula of BAS 04833770?
The molecular formula of BAS 04833770 is C20H19N5O4S2.
What is the molecular weight of BAS 04833770?
The molecular weight of BAS 04833770 is 457.09 g/mol.
Where can I buy BAS 04833770?
You can request a quote for BAS 04833770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04833770?
Yes, KEHONG BIO provides custom synthesis services for BAS 04833770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.