RefChem:314501
TL;DR: RefChem:314501 (CAS 15499-17-9) is a chemical compound with molecular formula C17H27ClN2O2 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dibutylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide;hydrochloride
Also Known As: Acetamide, 2-(dibutylamino)-N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride, 2-(Dibutylamino)-N-(7-oxo-1,3,5-cycloheptatrien-1-yl)acetamide hydrochloride, 2-(dibutylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride, N~2~,N~2~-Dibutyl-N-(7-oxocyclohepta-1,3,5-trien-1-yl)glycinamide--hydrogen chloride (1/1), RefChem:314501
| Molecular Formula | C17H27ClN2O2 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 3.3093 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.17612 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 15499-17-9 |
|---|---|
| SMILES | CCCCN(CCCC)CC(=O)NC1=CC=CC=CC1=O.Cl |
| InChIKey | NDQRDNQRPHJZMR-UHFFFAOYSA-N |
Product Overview
RefChem:314501 (CAS 15499-17-9), with molecular formula C17H27ClN2O2 and molecular weight 326.18 g/mol. IUPAC: 2-(dibutylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide;hydrochloride.
Chemical Property Profile of RefChem:314501
Property Insights of RefChem:314501
The XLogP value of 3.3093 indicates that RefChem:314501 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, RefChem:314501 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:314501 has 2 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 RefChem:314501?
The CAS number of RefChem:314501 is 15499-17-9.
What is the molecular formula of RefChem:314501?
The molecular formula of RefChem:314501 is C17H27ClN2O2.
What is the molecular weight of RefChem:314501?
The molecular weight of RefChem:314501 is 326.18 g/mol.
Where can I buy RefChem:314501?
You can request a quote for RefChem:314501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.