RefChem:245697
TL;DR: RefChem:245697 (CAS 38767-97-4) is a chemical compound with molecular formula C22H27ClN2O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]cyclohepta-2,4,6-trien-1-one
Also Known As: 5-Chloro-2-(4-(3-(cyclohexylamino)-2-hydroxypropoxy)anilino)-2,4,6-cycloheptatrien-1-one, 2,4,6-Cycloheptatrien-1-one, 5-chloro-2-(4-(3-(cyclohexylamino)-2-hydroxypropoxy)anilino)-, 2,4,6-Cycloheptatrien-1-one, 5-chloro-2-((4-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)amino)-, 5-chloro-2-[4-(3-cyclohexylamino-2-hydroxy-propoxy)-anilino]-cycloheptatrienone, 5-Chloro-2-[4-(3-cyclohexylamino-2-hydroxy-propoxy)-phenylamino]-cyclohepta-2,4,6-trienone
| Molecular Formula | C22H27ClN2O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.17102 |
| Heavy Atoms | 28 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 38767-97-4 |
|---|---|
| SMILES | C1CCC(CC1)NCC(COC2=CC=C(C=C2)NC3=CC=C(C=CC3=O)Cl)O |
| InChIKey | ANWFHDWPLUPCIX-UHFFFAOYSA-N |
Product Overview
RefChem:245697 (CAS 38767-97-4), with molecular formula C22H27ClN2O3 and molecular weight 402.17 g/mol. IUPAC: 5-chloro-2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of RefChem:245697
Property Insights of RefChem:245697
The XLogP value of 4.4 indicates that RefChem:245697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:245697. Following Lipinski's Rule of Five, RefChem:245697 has 3 hydrogen bond donor(s) and 5 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 RefChem:245697?
The CAS number of RefChem:245697 is 38767-97-4.
What is the molecular formula of RefChem:245697?
The molecular formula of RefChem:245697 is C22H27ClN2O3.
What is the molecular weight of RefChem:245697?
The molecular weight of RefChem:245697 is 402.17 g/mol.
Where can I buy RefChem:245697?
You can request a quote for RefChem:245697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245697?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.