BIM-0005458.P001
TL;DR: BIM-0005458.P001 (CAS 5993-03-3) is a chemical compound with molecular formula C25H26N2O7S and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-methoxy-4-[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylsulfanyl]acetate
Also Known As: BIM-0005458.P001, ethyl {[2-(2-methoxy-4-{(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate, ethyl 2-[2-[2-methoxy-4-[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylsulfanyl]acetate, Ethyl {[2-(2-methoxy-4-{(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate, ethyl {[2-(2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenoxy)ethyl]thio}acetate
| Molecular Formula | C25H26N2O7S |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 3.34512 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 498.14606 |
| Heavy Atoms | 35 |
| Complexity | 1145.0044 |
Chemical Identifiers
| CAS Number | 5993-03-3 |
|---|---|
| SMILES | CCOC(=O)CSCCOC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)OC |
Product Overview
BIM-0005458.P001 (CAS 5993-03-3), with molecular formula C25H26N2O7S and molecular weight 498.15 g/mol. IUPAC: ethyl 2-[2-[2-methoxy-4-[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylsulfanyl]acetate.
Chemical Property Profile of BIM-0005458.P001
Property Insights of BIM-0005458.P001
The XLogP value of 3.34512 indicates that BIM-0005458.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0005458.P001. Following Lipinski's Rule of Five, BIM-0005458.P001 has 1 hydrogen bond donor(s) and 8 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-0005458.P001?
The CAS number of BIM-0005458.P001 is 5993-03-3.
What is the molecular formula of BIM-0005458.P001?
The molecular formula of BIM-0005458.P001 is C25H26N2O7S.
What is the molecular weight of BIM-0005458.P001?
The molecular weight of BIM-0005458.P001 is 498.15 g/mol.
Where can I buy BIM-0005458.P001?
You can request a quote for BIM-0005458.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0005458.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0005458.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.