![[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate structure](/static/products/852/852685-33-7.png)
[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
TL;DR: [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate (CAS 852685-33-7) is a chemical compound with molecular formula C17H22ClNO3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
Also Known As: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate|1-[(Cyclohexylmethyl)amino]-1-oxopropan-2-yl 4-chlorobenzoate|MLS002171642|SMR001251936
| Molecular Formula | C17H22ClNO3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 3.5818 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1288 |
| Heavy Atoms | 22 |
| Complexity | 509.14026 |
Chemical Identifiers
| CAS Number | 852685-33-7 |
|---|---|
| SMILES | CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC=C(C=C2)Cl |
Product Overview
[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate (CAS 852685-33-7), with molecular formula C17H22ClNO3 and molecular weight 323.13 g/mol. IUPAC: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate.
Chemical Property Profile of [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
Property Insights of [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
The XLogP value of 3.5818 indicates that [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate has 1 hydrogen bond donor(s) and 3 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 [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
The CAS number of [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate is 852685-33-7.
What is the molecular formula of [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
The molecular formula of [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate is C17H22ClNO3.
What is the molecular weight of [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
The molecular weight of [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate is 323.13 g/mol.
Where can I buy [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
You can request a quote for [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.