ChemDiv1_024803
TL;DR: ChemDiv1_024803 (CAS 300705-48-0) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(propanoylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate
Also Known As: ChemDiv1_024803, BAS 00207958, ethyl 1'-(propionylamino)-3',4'-dihydrospiro(cyclohexane-1,3'-naphthalene)-2'-carboxylate, ethyl 1-(propanoylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate, ethyl 1-(propanoylamino)spiro[3,4-dihydronaphthalene-3,1'-cyclohexane]-2-carbo xylate
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 300705-48-0 |
|---|---|
| SMILES | CCC(=O)NC1=C(C2(CCCCC2)CC3=CC=CC=C31)C(=O)OCC |
| InChIKey | GWALTLHPLMEJIS-UHFFFAOYSA-N |
Product Overview
ChemDiv1_024803 (CAS 300705-48-0), with molecular formula C21H27NO3 and molecular weight 341.20 g/mol. IUPAC: ethyl 1-(propanoylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate.
Chemical Property Profile of ChemDiv1_024803
Property Insights of ChemDiv1_024803
The XLogP value of 5.1 indicates that ChemDiv1_024803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ChemDiv1_024803 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_024803 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024803?
The CAS number of ChemDiv1_024803 is 300705-48-0.
What is the molecular formula of ChemDiv1_024803?
The molecular formula of ChemDiv1_024803 is C21H27NO3.
What is the molecular weight of ChemDiv1_024803?
The molecular weight of ChemDiv1_024803 is 341.20 g/mol.
Where can I buy ChemDiv1_024803?
You can request a quote for ChemDiv1_024803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024803?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.