RefChem:380937
TL;DR: RefChem:380937 (CAS 63080-49-9) is a chemical compound with molecular formula C21H29NO4 and molecular weight 359.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5,6-dimethoxyspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-1-yl)acetate
Also Known As: Spiro(7H-benzo(de)quinoline-7,1'-cyclopentane)-1-acetic acid, 3,8,9,9a-tetrahydro-5,6-dimethoxy-, methyl ester, Methyl (5,6-dimethoxy-3,8,9,9a-tetrahydrospiro[benzo[de]quinoline-7,1'-cyclopentan]-1(2H)-yl)acetate, methyl 2-(5,6-dimethoxyspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-1-yl)acetate, BRN 1508155, RefChem:380937
| Molecular Formula | C21H29NO4 |
|---|---|
| Molecular Weight | 359.21 g/mol |
| LogP | 3.3816 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.20966 |
| Heavy Atoms | 26 |
| Complexity | 708.4529 |
Chemical Identifiers
| CAS Number | 63080-49-9 |
|---|---|
| SMILES | COC1=C(C2=C3C(CCC24CCCC4)N(CCC3=C1)CC(=O)OC)OC |
Product Overview
RefChem:380937 (CAS 63080-49-9), with molecular formula C21H29NO4 and molecular weight 359.21 g/mol. IUPAC: methyl 2-(5,6-dimethoxyspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-1-yl)acetate.
Chemical Property Profile of RefChem:380937
Property Insights of RefChem:380937
The XLogP value of 3.3816 indicates that RefChem:380937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, RefChem:380937 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:380937 has 0 hydrogen bond donor(s) and 5 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:380937?
The CAS number of RefChem:380937 is 63080-49-9.
What is the molecular formula of RefChem:380937?
The molecular formula of RefChem:380937 is C21H29NO4.
What is the molecular weight of RefChem:380937?
The molecular weight of RefChem:380937 is 359.21 g/mol.
Where can I buy RefChem:380937?
You can request a quote for RefChem:380937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:380937?
Yes, KEHONG BIO provides custom synthesis services for RefChem:380937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.