3R-0051
TL;DR: 3R-0051 (CAS 478034-04-7) is a chemical compound with molecular formula C25H20N4O4 and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide
Also Known As: 3R-0051, N-(1,3-benzodioxol-5-ylmethyl)-2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[4-(pyridin-2-yl)pyrimidin-2-yl]phenoxy}acetamide, N-(2H-1,3-benzodioxol-5-ylmethyl)-2-{4-[4-(pyridin-2-yl)pyrimidin-2-yl]phenoxy}acetamide
| Molecular Formula | C25H20N4O4 |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 3.6295 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.14847 |
| Heavy Atoms | 33 |
| Complexity | 1263.1602 |
Chemical Identifiers
| CAS Number | 478034-04-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)COC3=CC=C(C=C3)C4=NC=CC(=N4)C5=CC=CC=N5 |
Product Overview
3R-0051 (CAS 478034-04-7), with molecular formula C25H20N4O4 and molecular weight 440.15 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide.
Chemical Property Profile of 3R-0051
Property Insights of 3R-0051
The XLogP value of 3.6295 indicates that 3R-0051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3R-0051. Following Lipinski's Rule of Five, 3R-0051 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 3R-0051?
The CAS number of 3R-0051 is 478034-04-7.
What is the molecular formula of 3R-0051?
The molecular formula of 3R-0051 is C25H20N4O4.
What is the molecular weight of 3R-0051?
The molecular weight of 3R-0051 is 440.15 g/mol.
Where can I buy 3R-0051?
You can request a quote for 3R-0051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3R-0051?
Yes, KEHONG BIO provides custom synthesis services for 3R-0051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.