E545-0136
TL;DR: E545-0136 (CAS 892422-00-3) is a chemical compound with molecular formula C22H15ClN2O4 and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
Also Known As: E545-0136, F1609-0180, 1-(3-chlorobenzyl)-3-(furan-2-ylmethyl)benzofuro[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione, 3-[(3-chlorophenyl)methyl]-5-[(furan-2-yl)methyl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),10,12-tetraene-4,6-dione
| Molecular Formula | C22H15ClN2O4 |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 4.2524 |
| Topological Polar Surface Area | 70.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.07202 |
| Heavy Atoms | 29 |
| Complexity | 1458.2717 |
Chemical Identifiers
| CAS Number | 892422-00-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C(=O)N3CC4=CC(=CC=C4)Cl)CC5=CC=CO5 |
Product Overview
E545-0136 (CAS 892422-00-3), with molecular formula C22H15ClN2O4 and molecular weight 406.07 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.
Chemical Property Profile of E545-0136
Property Insights of E545-0136
The XLogP value of 4.2524 indicates that E545-0136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.28 Ų falls within the moderate polarity range, balancing permeability and solubility for E545-0136. Following Lipinski's Rule of Five, E545-0136 has 0 hydrogen bond donor(s) and 4 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 E545-0136?
The CAS number of E545-0136 is 892422-00-3.
What is the molecular formula of E545-0136?
The molecular formula of E545-0136 is C22H15ClN2O4.
What is the molecular weight of E545-0136?
The molecular weight of E545-0136 is 406.07 g/mol.
Where can I buy E545-0136?
You can request a quote for E545-0136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E545-0136?
Yes, KEHONG BIO provides custom synthesis services for E545-0136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.