BIM-0023199.P001
TL;DR: BIM-0023199.P001 (CAS 5538-89-6) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0023199.P001, 5-(4-Butoxy-3-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, Pyrimidine-4,6-dione, hexahydro-5-(4-butoxy-3-methoxybenzylidene)-2-thioxo-, 5-(4-Butoxy-3-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione #
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 1.7884 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 648.0441 |
Chemical Identifiers
| CAS Number | 5538-89-6 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC |
Product Overview
BIM-0023199.P001 (CAS 5538-89-6), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: 5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0023199.P001
Property Insights of BIM-0023199.P001
The XLogP value of 1.7884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0023199.P001. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0023199.P001. Following Lipinski's Rule of Five, BIM-0023199.P001 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 BIM-0023199.P001?
The CAS number of BIM-0023199.P001 is 5538-89-6.
What is the molecular formula of BIM-0023199.P001?
The molecular formula of BIM-0023199.P001 is C16H18N2O4S.
What is the molecular weight of BIM-0023199.P001?
The molecular weight of BIM-0023199.P001 is 334.10 g/mol.
Where can I buy BIM-0023199.P001?
You can request a quote for BIM-0023199.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0023199.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0023199.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.