8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one
TL;DR: 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one (CAS 302575-43-5) is a chemical compound with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxychromen-4-one
Also Known As: BIM-0038072.P001, 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one, AE-641/13212076, 8-(azepan-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxychromen-4-one, 8-(azepan-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one
| Molecular Formula | C22H22ClNO3 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 5.195 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1288 |
| Heavy Atoms | 27 |
| Complexity | 1002.4819 |
Chemical Identifiers
| CAS Number | 302575-43-5 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O |
Product Overview
8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one (CAS 302575-43-5), with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol. IUPAC: 8-(azepan-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxychromen-4-one.
Chemical Property Profile of 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one
Property Insights of 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one
The XLogP value of 5.195 indicates that 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.68 Ų, 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one?
The CAS number of 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one is 302575-43-5.
What is the molecular formula of 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one?
The molecular formula of 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one is C22H22ClNO3.
What is the molecular weight of 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one?
The molecular weight of 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one is 383.13 g/mol.
Where can I buy 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one?
You can request a quote for 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.