E544-0196
TL;DR: E544-0196 (CAS 867040-74-2) is a chemical compound with molecular formula C27H23ClN4O4S and molecular weight 534.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: E544-0196, F1607-1139, 2-{[5-(2-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide, 2-((2-(2-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-[[5-(2-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C27H23ClN4O4S |
|---|---|
| Molecular Weight | 534.11 g/mol |
| LogP | 5.42862 |
| Topological Polar Surface Area | 106.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.11285 |
| Heavy Atoms | 37 |
| Complexity | 1497.7161 |
Chemical Identifiers
| CAS Number | 867040-74-2 |
|---|---|
| SMILES | CC1=NC=C(C2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4Cl)SCC(=O)NC5=CC(=CC=C5)OC)CO |
Product Overview
E544-0196 (CAS 867040-74-2), with molecular formula C27H23ClN4O4S and molecular weight 534.11 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of E544-0196
Property Insights of E544-0196
The XLogP value of 5.42862 indicates that E544-0196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.46 Ų falls within the moderate polarity range, balancing permeability and solubility for E544-0196. Following Lipinski's Rule of Five, E544-0196 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E544-0196?
The CAS number of E544-0196 is 867040-74-2.
What is the molecular formula of E544-0196?
The molecular formula of E544-0196 is C27H23ClN4O4S.
What is the molecular weight of E544-0196?
The molecular weight of E544-0196 is 534.11 g/mol.
Where can I buy E544-0196?
You can request a quote for E544-0196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E544-0196?
Yes, KEHONG BIO provides custom synthesis services for E544-0196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.