Mre 3008-F20
TL;DR: Mre 3008-F20 (CAS 252979-43-4) is a chemical compound with molecular formula C21H20N8O3 and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
Also Known As: MRE 3008-F20, MCP-NECA, MRE 3008F20, GTPL459, GTPL477
| Molecular Formula | C21H20N8O3 |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 3.7966 |
| Topological Polar Surface Area | 124.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.16583 |
| Heavy Atoms | 32 |
| Complexity | 1386.4961 |
Chemical Identifiers
| CAS Number | 252979-43-4 |
|---|---|
| SMILES | CCCN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=CO4)NC(=O)NC5=CC=C(C=C5)OC |
Product Overview
Mre 3008-F20 (CAS 252979-43-4), with molecular formula C21H20N8O3 and molecular weight 432.17 g/mol. IUPAC: 1-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea.
Chemical Property Profile of Mre 3008-F20
Property Insights of Mre 3008-F20
The XLogP value of 3.7966 indicates that Mre 3008-F20 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Mre 3008-F20. Following Lipinski's Rule of Five, Mre 3008-F20 has 2 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 Mre 3008-F20?
The CAS number of Mre 3008-F20 is 252979-43-4.
What is the molecular formula of Mre 3008-F20?
The molecular formula of Mre 3008-F20 is C21H20N8O3.
What is the molecular weight of Mre 3008-F20?
The molecular weight of Mre 3008-F20 is 432.17 g/mol.
Where can I buy Mre 3008-F20?
You can request a quote for Mre 3008-F20 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mre 3008-F20?
Yes, KEHONG BIO provides custom synthesis services for Mre 3008-F20 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.