A0431/0019950
TL;DR: A0431/0019950 (CAS 313953-69-4) is a chemical compound with molecular formula C15H16ClN3O5 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: A0431/0019950, (Z)-1-(4-chlorophenyl)-5-(((1,3-dihydroxy-2-methylpropan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-chlorophenyl)-5-({[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5E)-1-(4-chlorophenyl)-5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-chlorophenyl)-5-{[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C15H16ClN3O5 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 0.047 |
| Topological Polar Surface Area | 127.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.07785 |
| Heavy Atoms | 24 |
| Complexity | 866.15875 |
Chemical Identifiers
| CAS Number | 313953-69-4 |
|---|---|
| SMILES | CC(CO)(CO)N=CC1=C(N(C(=O)NC1=O)C2=CC=C(C=C2)Cl)O |
Product Overview
A0431/0019950 (CAS 313953-69-4), with molecular formula C15H16ClN3O5 and molecular weight 353.08 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of A0431/0019950
Property Insights of A0431/0019950
The XLogP value of 0.047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0431/0019950. The TPSA of 127.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A0431/0019950. Following Lipinski's Rule of Five, A0431/0019950 has 4 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 A0431/0019950?
The CAS number of A0431/0019950 is 313953-69-4.
What is the molecular formula of A0431/0019950?
The molecular formula of A0431/0019950 is C15H16ClN3O5.
What is the molecular weight of A0431/0019950?
The molecular weight of A0431/0019950 is 353.08 g/mol.
Where can I buy A0431/0019950?
You can request a quote for A0431/0019950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0431/0019950?
Yes, KEHONG BIO provides custom synthesis services for A0431/0019950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.