RefChem:245676
TL;DR: RefChem:245676 (CAS 38768-00-2) is a chemical compound with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]cyclohepta-2,4,6-trien-1-one
Also Known As: 2-((4-(3-(Cyclohexylamino)-2-hydroxypropoxy)phenyl)amino)-2,4,6-cycloheptatrien-1-one, 2,4,6-Cycloheptatrien-1-one, 2-((4-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)amino)-, 2,4,6-Cycloheptatrien-1-one, 2-(4-(3-(cyclohexylamino)-2-hydroxypropoxy)anilino)-, 2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]cyclohepta-2,4,6-trien-1-one, 2-[[4-[3- -2-hydroxypropoxy]phenyl]amino]-2,4,6-cycloheptatrien-1-one
| Molecular Formula | C22H28N2O3 |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.21 |
| Heavy Atoms | 27 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 38768-00-2 |
|---|---|
| SMILES | C1CCC(CC1)NCC(COC2=CC=C(C=C2)NC3=CC=CC=CC3=O)O |
| InChIKey | QNNIQNWQWDFNSF-UHFFFAOYSA-N |
Product Overview
RefChem:245676 (CAS 38768-00-2), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: 2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of RefChem:245676
Property Insights of RefChem:245676
The XLogP value of 4.1 indicates that RefChem:245676 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:245676. Following Lipinski's Rule of Five, RefChem:245676 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:245676?
The CAS number of RefChem:245676 is 38768-00-2.
What is the molecular formula of RefChem:245676?
The molecular formula of RefChem:245676 is C22H28N2O3.
What is the molecular weight of RefChem:245676?
The molecular weight of RefChem:245676 is 368.21 g/mol.
Where can I buy RefChem:245676?
You can request a quote for RefChem:245676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245676?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.