BAS 00640079
TL;DR: BAS 00640079 (CAS 331859-17-7) is a chemical compound with molecular formula C23H28ClN3O4 and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1,3-dicyclohexyl-6-hydroxypyrimidine-2,4-dione
Also Known As: BAS 00640079, 5-[(5-chloro-2-hydroxyanilino)methylidene]-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione, 5-(((5-chloro-2-hydroxyphenyl)amino)methylene)-1,3-dicyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(5-chloro-2-hydroxyanilino)methylene]-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-{[(5-chloro-2-hydroxyphenyl)amino]methylene}-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C23H28ClN3O4 |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 4.8356 |
| Topological Polar Surface Area | 96.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.17682 |
| Heavy Atoms | 31 |
| Complexity | 1093.2212 |
Chemical Identifiers
| CAS Number | 331859-17-7 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C=NC4=C(C=CC(=C4)Cl)O)O |
Product Overview
BAS 00640079 (CAS 331859-17-7), with molecular formula C23H28ClN3O4 and molecular weight 445.18 g/mol. IUPAC: 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1,3-dicyclohexyl-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of BAS 00640079
Property Insights of BAS 00640079
The XLogP value of 4.8356 indicates that BAS 00640079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00640079. Following Lipinski's Rule of Five, BAS 00640079 has 2 hydrogen bond donor(s) and 5 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 00640079?
The CAS number of BAS 00640079 is 331859-17-7.
What is the molecular formula of BAS 00640079?
The molecular formula of BAS 00640079 is C23H28ClN3O4.
What is the molecular weight of BAS 00640079?
The molecular weight of BAS 00640079 is 445.18 g/mol.
Where can I buy BAS 00640079?
You can request a quote for BAS 00640079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00640079?
Yes, KEHONG BIO provides custom synthesis services for BAS 00640079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.