![[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate structure](/static/products/4546/454669-11-5.webp)
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
TL;DR: [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate (CAS 454669-11-5) is a chemical compound with molecular formula C22H27ClN2O4 and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
Also Known As: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate|1-(4-Acetamidoanilino)-1-oxopropan-2-yl 3-chloroadamantane-1-carboxylate|MLS002246076|SMR001309700
| Molecular Formula | C22H27ClN2O4 |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 4.093 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.16592 |
| Heavy Atoms | 29 |
| Complexity | 823.71893 |
Chemical Identifiers
| CAS Number | 454669-11-5 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl |
Product Overview
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate (CAS 454669-11-5), with molecular formula C22H27ClN2O4 and molecular weight 418.17 g/mol. IUPAC: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate.
Chemical Property Profile of [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
Property Insights of [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
The XLogP value of 4.093 indicates that [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate. Following Lipinski's Rule of Five, [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate has 2 hydrogen bond donor(s) and 4 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-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate?
The CAS number of [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate is 454669-11-5.
What is the molecular formula of [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate?
The molecular formula of [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate is C22H27ClN2O4.
What is the molecular weight of [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate?
The molecular weight of [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate is 418.17 g/mol.
Where can I buy [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate?
You can request a quote for [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.