RefChem:311780
TL;DR: RefChem:311780 (CAS 33242-74-9) is a chemical compound with molecular formula C25H29NO4S and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-8-azoniabicyclo[3.2.1]octane;methyl sulfate
Also Known As: 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)tropane dimethylsulfate, 8-Azoniabicyclo(3.2.1)octane, 3-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-8,8-dimethyl-, methyl sulfate, 3-(5h-dibenzo[a,d][7]annulen-5-ylidene)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane methyl sulfate, 3-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium methyl sulfate, RefChem:311780
| Molecular Formula | C25H29NO4S |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | 4.4665 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 439.18173 |
| Heavy Atoms | 31 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 33242-74-9 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)C2)C.COS(=O)(=O)[O-] |
| InChIKey | YLRSPFWCPMRUDA-UHFFFAOYSA-M |
Product Overview
RefChem:311780 (CAS 33242-74-9), with molecular formula C25H29NO4S and molecular weight 439.18 g/mol. IUPAC: 8,8-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-8-azoniabicyclo[3.2.1]octane;methyl sulfate.
Chemical Property Profile of RefChem:311780
Property Insights of RefChem:311780
The XLogP value of 4.4665 indicates that RefChem:311780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311780. Following Lipinski's Rule of Five, RefChem:311780 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 RefChem:311780?
The CAS number of RefChem:311780 is 33242-74-9.
What is the molecular formula of RefChem:311780?
The molecular formula of RefChem:311780 is C25H29NO4S.
What is the molecular weight of RefChem:311780?
The molecular weight of RefChem:311780 is 439.18 g/mol.
Where can I buy RefChem:311780?
You can request a quote for RefChem:311780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311780?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.