Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate
TL;DR: Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate (CAS 23614-19-9) is a chemical compound with molecular formula C20H31N3O3 and molecular weight 361.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(azepan-1-ylcarbamoylamino)benzoate
Also Known As: hexyl 2-(azepan-1-ylcarbamoylamino)benzoate, HEXYL 2-{[(AZEPAN-1-YL)CARBAMOYL]AMINO}BENZOATE, 6-Amino-2,3-bis-(4-methoxy-phenyl)-1H-pyrrolo<2,3-b>pyridin, Benzoic acid,2-[[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]amino]-, hexyl ester
| Molecular Formula | C20H31N3O3 |
|---|---|
| Molecular Weight | 361.24 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.23654 |
| Heavy Atoms | 26 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 23614-19-9 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1NC(=O)NN2CCCCCC2 |
| InChIKey | FOEDPKRIJQXRAZ-UHFFFAOYSA-N |
Product Overview
Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate (CAS 23614-19-9), with molecular formula C20H31N3O3 and molecular weight 361.24 g/mol. IUPAC: hexyl 2-(azepan-1-ylcarbamoylamino)benzoate.
Chemical Property Profile of Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate
Property Insights of Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate
The XLogP value of 5.1 indicates that Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate. Following Lipinski's Rule of Five, Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate?
The CAS number of Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate is 23614-19-9.
What is the molecular formula of Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate?
The molecular formula of Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate is C20H31N3O3.
What is the molecular weight of Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate?
The molecular weight of Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate is 361.24 g/mol.
Where can I buy Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate?
You can request a quote for Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.