1X-0868
TL;DR: 1X-0868 (CAS 861207-75-2) is a chemical compound with molecular formula C22H21ClN2O2 and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(2-phenylethyl)methanimine
Also Known As: 1X-0868, N-({4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl}methylene)-2-phenyl-1-ethanamine, (E)-({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methylidene)(2-phenylethyl)amine, 1-[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]-N-(2-phenylethyl)methanimine, 1-[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxy-phenyl]-N-phenethyl-methanimine
| Molecular Formula | C22H21ClN2O2 |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 4.9842 |
| Topological Polar Surface Area | 43.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.12915 |
| Heavy Atoms | 27 |
| Complexity | 880.57446 |
Chemical Identifiers
| CAS Number | 861207-75-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=NCCC2=CC=CC=C2)OCC3=CN=C(C=C3)Cl |
Product Overview
1X-0868 (CAS 861207-75-2), with molecular formula C22H21ClN2O2 and molecular weight 380.13 g/mol. IUPAC: 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(2-phenylethyl)methanimine.
Chemical Property Profile of 1X-0868
Property Insights of 1X-0868
The XLogP value of 4.9842 indicates that 1X-0868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.71 Ų, 1X-0868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1X-0868 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 1X-0868?
The CAS number of 1X-0868 is 861207-75-2.
What is the molecular formula of 1X-0868?
The molecular formula of 1X-0868 is C22H21ClN2O2.
What is the molecular weight of 1X-0868?
The molecular weight of 1X-0868 is 380.13 g/mol.
Where can I buy 1X-0868?
You can request a quote for 1X-0868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1X-0868?
Yes, KEHONG BIO provides custom synthesis services for 1X-0868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.