AN-465/42896750
TL;DR: AN-465/42896750 (CAS 875005-39-3) is a chemical compound with molecular formula C22H21ClN2O4 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]methanamine
Also Known As: AN-465/42896750, A4016/0171253, 1-(1,3-benzodioxol-5-yl)-N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]methanamine, 1-(1,3-benzodioxol-5-yl)-N-{4-[(6-chloropyridin-3-yl)methoxy]-3-methoxybenzyl}methanamine, Benzo[1,3]dioxol-5-ylmethyl-[4-(6-chloro-pyridin-3-ylmethoxy)-3-methoxy-benzyl]-amine
| Molecular Formula | C22H21ClN2O4 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 4.3411 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.119 |
| Heavy Atoms | 29 |
| Complexity | 979.0463 |
Chemical Identifiers
| CAS Number | 875005-39-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)OCC4=CN=C(C=C4)Cl |
Product Overview
AN-465/42896750 (CAS 875005-39-3), with molecular formula C22H21ClN2O4 and molecular weight 412.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]methanamine.
Chemical Property Profile of AN-465/42896750
Property Insights of AN-465/42896750
The XLogP value of 4.3411 indicates that AN-465/42896750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/42896750. Following Lipinski's Rule of Five, AN-465/42896750 has 1 hydrogen bond donor(s) and 6 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 AN-465/42896750?
The CAS number of AN-465/42896750 is 875005-39-3.
What is the molecular formula of AN-465/42896750?
The molecular formula of AN-465/42896750 is C22H21ClN2O4.
What is the molecular weight of AN-465/42896750?
The molecular weight of AN-465/42896750 is 412.12 g/mol.
Where can I buy AN-465/42896750?
You can request a quote for AN-465/42896750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/42896750?
Yes, KEHONG BIO provides custom synthesis services for AN-465/42896750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.