ChemDiv1_021811
TL;DR: ChemDiv1_021811 (CAS 221239-10-7) is a chemical compound with molecular formula C25H27NO3 and molecular weight 389.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2-phenylacetyl)amino]spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate
Also Known As: ChemDiv1_021811, BAS 00818401, ethyl 1-[(2-phenylacetyl)amino]spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate, ethyl 1-(2-phenylacetylamino)spiro[3,4-dihydronaphthalene-3,1'-cyclopentane]-2 -carboxylate, ethyl 1-[(phenylacetyl)amino]-3,4-dihydrospiro[naphthalene-3,1'-cyclopentane]-2-carboxylate
| Molecular Formula | C25H27NO3 |
|---|---|
| Molecular Weight | 389.20 g/mol |
| LogP | 4.4362 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.1991 |
| Heavy Atoms | 29 |
| Complexity | 939.55066 |
Chemical Identifiers
| CAS Number | 221239-10-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2CC13CCCC3)NC(=O)CC4=CC=CC=C4 |
Product Overview
ChemDiv1_021811 (CAS 221239-10-7), with molecular formula C25H27NO3 and molecular weight 389.20 g/mol. IUPAC: ethyl 1-[(2-phenylacetyl)amino]spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate.
Chemical Property Profile of ChemDiv1_021811
Property Insights of ChemDiv1_021811
The XLogP value of 4.4362 indicates that ChemDiv1_021811 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_021811 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021811 has 1 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 ChemDiv1_021811?
The CAS number of ChemDiv1_021811 is 221239-10-7.
What is the molecular formula of ChemDiv1_021811?
The molecular formula of ChemDiv1_021811 is C25H27NO3.
What is the molecular weight of ChemDiv1_021811?
The molecular weight of ChemDiv1_021811 is 389.20 g/mol.
Where can I buy ChemDiv1_021811?
You can request a quote for ChemDiv1_021811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021811?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.