BAS 03058255
TL;DR: BAS 03058255 (CAS 333758-49-9) is a chemical compound with molecular formula C20H26N6O3S and molecular weight 430.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]ethyl]-N-phenylpiperazine-1-carbothioamide
Also Known As: BAS 03058255, 4-(2-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)-N-phenylpiperazine-1-carbothioamide, 1,3-dimethyl-5-{[(2-{4-[(phenylamino)thioxomethyl]piperazinyl}ethyl)amino]meth ylene}-1,3-dihydropyrimidine-2,4,6-trione, 1-piperazinecarbothioamide, N-phenyl-4-[2-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]ethyl]-, 4-(2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carbothioamide
| Molecular Formula | C20H26N6O3S |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | 0.2231 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.1787 |
| Heavy Atoms | 30 |
| Complexity | 1038.9878 |
Chemical Identifiers
| CAS Number | 333758-49-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3)O |
Product Overview
BAS 03058255 (CAS 333758-49-9), with molecular formula C20H26N6O3S and molecular weight 430.18 g/mol. IUPAC: 4-[2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]ethyl]-N-phenylpiperazine-1-carbothioamide.
Chemical Property Profile of BAS 03058255
Property Insights of BAS 03058255
The XLogP value of 0.2231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03058255. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03058255. Following Lipinski's Rule of Five, BAS 03058255 has 2 hydrogen bond donor(s) and 6 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 03058255?
The CAS number of BAS 03058255 is 333758-49-9.
What is the molecular formula of BAS 03058255?
The molecular formula of BAS 03058255 is C20H26N6O3S.
What is the molecular weight of BAS 03058255?
The molecular weight of BAS 03058255 is 430.18 g/mol.
Where can I buy BAS 03058255?
You can request a quote for BAS 03058255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058255?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.