2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide
TL;DR: 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide (CAS 168843-83-2) is a chemical compound with molecular formula C19H28N4O3 and molecular weight 360.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-N-benzyl-6-(prop-2-enylcarbamoylamino)hexanamide
Also Known As: NCI60_014957, 2-acetamido-6-(allylcarbamoylamino)-N-benzyl-hexanamide, 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide, 2-(Acetylamino)-N-benzyl-6-[3-(2-propenyl)ureido]hexanamide, 2-acetamido-N-benzyl-6-(prop-2-enylcarbamoylamino)hexanamide
| Molecular Formula | C19H28N4O3 |
|---|---|
| Molecular Weight | 360.22 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 360.21616 |
| Heavy Atoms | 26 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 168843-83-2 |
|---|---|
| SMILES | CC(=O)NC(CCCCNC(=O)NCC=C)C(=O)NCC1=CC=CC=C1 |
| InChIKey | SPHMGBXEEHIWKH-UHFFFAOYSA-N |
Product Overview
2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide (CAS 168843-83-2), with molecular formula C19H28N4O3 and molecular weight 360.22 g/mol. IUPAC: 2-acetamido-N-benzyl-6-(prop-2-enylcarbamoylamino)hexanamide.
Chemical Property Profile of 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide
Property Insights of 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide. Following Lipinski's Rule of Five, 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide has 4 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 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide?
The CAS number of 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide is 168843-83-2.
What is the molecular formula of 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide?
The molecular formula of 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide is C19H28N4O3.
What is the molecular weight of 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide?
The molecular weight of 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide is 360.22 g/mol.
Where can I buy 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide?
You can request a quote for 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-6-(((allylamino)carbonyl)amino)-N-benzylhexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.