BIM-0035962.P001
TL;DR: BIM-0035962.P001 (CAS 5885-71-2) is a chemical compound with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate
Also Known As: BIM-0035962.P001, A1975/0083069, ethyl 4-{5-[(1-allyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate, ethyl 4-(5-{(Z)-[2,4,6-trioxo-1-(prop-2-en-1-yl)tetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate, ETHYL 4-(5-{[(5Z)-2,4,6-TRIOXO-1-(PROP-2-EN-1-YL)-1,3-DIAZINAN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOATE
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 2.7711 |
| Topological Polar Surface Area | 105.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 1016.04724 |
Chemical Identifiers
| CAS Number | 5885-71-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)N(C3=O)CC=C |
Product Overview
BIM-0035962.P001 (CAS 5885-71-2), with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol. IUPAC: ethyl 4-[5-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of BIM-0035962.P001
Property Insights of BIM-0035962.P001
The XLogP value of 2.7711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0035962.P001. The TPSA of 105.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0035962.P001. Following Lipinski's Rule of Five, BIM-0035962.P001 has 1 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 BIM-0035962.P001?
The CAS number of BIM-0035962.P001 is 5885-71-2.
What is the molecular formula of BIM-0035962.P001?
The molecular formula of BIM-0035962.P001 is C21H18N2O6.
What is the molecular weight of BIM-0035962.P001?
The molecular weight of BIM-0035962.P001 is 394.12 g/mol.
Where can I buy BIM-0035962.P001?
You can request a quote for BIM-0035962.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0035962.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0035962.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.