RefChem:380939
TL;DR: RefChem:380939 (CAS 63080-48-8) is a chemical compound with molecular formula C21H27NO4 and molecular weight 357.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-acetyloxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-5-yl) acetate
Also Known As: Spiro(7H-benzo(de)quinoline-7,1'-cyclopentane)-5,6-diol, 1,2,3,8,9,9a-hexahydro-1-methyl-, diacetate (ester), (6-acetyloxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-5-yl) acetate, 1-Methyl-1,2,3,8,9,9a-hexahydrospiro[benzo[de]quinoline-7,1'-cyclopentane]-5,6-diyl diacetate, BRN 1510830, RefChem:380939
| Molecular Formula | C21H27NO4 |
|---|---|
| Molecular Weight | 357.19 g/mol |
| LogP | 3.6718 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.194 |
| Heavy Atoms | 26 |
| Complexity | 763.76483 |
Chemical Identifiers
| CAS Number | 63080-48-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C3C(CCC24CCCC4)N(CCC3=C1)C)OC(=O)C |
Product Overview
RefChem:380939 (CAS 63080-48-8), with molecular formula C21H27NO4 and molecular weight 357.19 g/mol. IUPAC: (6-acetyloxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-5-yl) acetate.
Chemical Property Profile of RefChem:380939
Property Insights of RefChem:380939
The XLogP value of 3.6718 indicates that RefChem:380939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, RefChem:380939 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:380939 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:380939?
The CAS number of RefChem:380939 is 63080-48-8.
What is the molecular formula of RefChem:380939?
The molecular formula of RefChem:380939 is C21H27NO4.
What is the molecular weight of RefChem:380939?
The molecular weight of RefChem:380939 is 357.19 g/mol.
Where can I buy RefChem:380939?
You can request a quote for RefChem:380939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:380939?
Yes, KEHONG BIO provides custom synthesis services for RefChem:380939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.