BAS 12423596
TL;DR: BAS 12423596 (CAS 880810-08-2) is a chemical compound with molecular formula C21H20ClFN2O2 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine
Also Known As: BAS 12423596, AN-465/42887995, 1-{4-[(2-chloro-4-fluorobenzyl)oxy]-3-methoxyphenyl}-N-(pyridin-3-ylmethyl)methanamine, [4-(2-Chloro-4-fluoro-benzyloxy)-3-methoxy-benzyl]-pyridin-3-ylmethyl-amine, 1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine
| Molecular Formula | C21H20ClFN2O2 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 4.7515 |
| Topological Polar Surface Area | 43.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.11972 |
| Heavy Atoms | 27 |
| Complexity | 890.60504 |
Chemical Identifiers
| CAS Number | 880810-08-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CNCC2=CN=CC=C2)OCC3=C(C=C(C=C3)F)Cl |
Product Overview
BAS 12423596 (CAS 880810-08-2), with molecular formula C21H20ClFN2O2 and molecular weight 386.12 g/mol. IUPAC: 1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine.
Chemical Property Profile of BAS 12423596
Property Insights of BAS 12423596
The XLogP value of 4.7515 indicates that BAS 12423596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.38 Ų, BAS 12423596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12423596 has 1 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 BAS 12423596?
The CAS number of BAS 12423596 is 880810-08-2.
What is the molecular formula of BAS 12423596?
The molecular formula of BAS 12423596 is C21H20ClFN2O2.
What is the molecular weight of BAS 12423596?
The molecular weight of BAS 12423596 is 386.12 g/mol.
Where can I buy BAS 12423596?
You can request a quote for BAS 12423596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12423596?
Yes, KEHONG BIO provides custom synthesis services for BAS 12423596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.