BIM-0017776.P001
TL;DR: BIM-0017776.P001 (CAS 348575-95-1) is a chemical compound with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-6-prop-2-enylphenoxy]acetate
Also Known As: BIM-0017776.P001, methyl [4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetate, (E)-methyl 2-(2-allyl-4-((1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-ethoxyphenoxy)acetate, methyl (2-allyl-4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-6-ethoxyphenoxy)acetate, methyl 2-[4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-6-prop-2-enylphenoxy]acetate
| Molecular Formula | C27H28N2O7 |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | 3.64884 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.18964 |
| Heavy Atoms | 36 |
| Complexity | 1242.7588 |
Chemical Identifiers
| CAS Number | 348575-95-1 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC(=O)OC)CC=C)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C |
Product Overview
BIM-0017776.P001 (CAS 348575-95-1), with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol. IUPAC: methyl 2-[4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-6-prop-2-enylphenoxy]acetate.
Chemical Property Profile of BIM-0017776.P001
Property Insights of BIM-0017776.P001
The XLogP value of 3.64884 indicates that BIM-0017776.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-0017776.P001. Following Lipinski's Rule of Five, BIM-0017776.P001 has 1 hydrogen bond donor(s) and 7 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-0017776.P001?
The CAS number of BIM-0017776.P001 is 348575-95-1.
What is the molecular formula of BIM-0017776.P001?
The molecular formula of BIM-0017776.P001 is C27H28N2O7.
What is the molecular weight of BIM-0017776.P001?
The molecular weight of BIM-0017776.P001 is 492.19 g/mol.
Where can I buy BIM-0017776.P001?
You can request a quote for BIM-0017776.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017776.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017776.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.