![(1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one structure](/static/products/850/850010-77-4.png)
(1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one
TL;DR: (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one (CAS 850010-77-4) is a chemical compound with molecular formula C25H24BrNO4 and molecular weight 481.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one
Also Known As: (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one, 6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one
| Molecular Formula | C25H24BrNO4 |
|---|---|
| Molecular Weight | 481.09 g/mol |
| LogP | 4.66182 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 481.08887 |
| Heavy Atoms | 31 |
| Complexity | 1105.0051 |
Chemical Identifiers
| CAS Number | 850010-77-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2(C3C2(C(=O)OC4=C3C=C(C=C4)Br)C(=O)N5CCCCC5)C |
Product Overview
(1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one (CAS 850010-77-4), with molecular formula C25H24BrNO4 and molecular weight 481.09 g/mol. IUPAC: 6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one.
Chemical Property Profile of (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one
Property Insights of (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one
The XLogP value of 4.66182 indicates that (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one. Following Lipinski's Rule of Five, (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one has 0 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 (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one?
The CAS number of (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one is 850010-77-4.
What is the molecular formula of (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one?
The molecular formula of (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one is C25H24BrNO4.
What is the molecular weight of (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one?
The molecular weight of (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one is 481.09 g/mol.
Where can I buy (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one?
You can request a quote for (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.