![ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate structure](/static/products/5802/5802-40-4.webp)
ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate
TL;DR: ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate (CAS 5802-40-4) is a chemical compound with molecular formula C23H26N2O2 and molecular weight 362.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate
Also Known As: ChemDiv1_025689, BAS 00899354, ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate, A1748/0074168, Ethyl 4-[(4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-yl)amino]benzoate
| Molecular Formula | C23H26N2O2 |
|---|---|
| Molecular Weight | 362.20 g/mol |
| LogP | 4.981 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.19943 |
| Heavy Atoms | 27 |
| Complexity | 848.937 |
Chemical Identifiers
| CAS Number | 5802-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC3(CCCCC3)CC4=CC=CC=C42 |
Product Overview
ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate (CAS 5802-40-4), with molecular formula C23H26N2O2 and molecular weight 362.20 g/mol. IUPAC: ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate.
Chemical Property Profile of ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate
Property Insights of ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate
The XLogP value of 4.981 indicates that ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate has 1 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 ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate?
The CAS number of ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate is 5802-40-4.
What is the molecular formula of ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate?
The molecular formula of ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate is C23H26N2O2.
What is the molecular weight of ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate?
The molecular weight of ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate is 362.20 g/mol.
Where can I buy ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate?
You can request a quote for ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.