RefChem:372740
TL;DR: RefChem:372740 (CAS 3774-39-8) is a chemical compound with molecular formula C22H30N2O4S and molecular weight 418.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-ium;methyl sulfate
Also Known As: (Dibenzo(a,d)cycloheptadienyl-5)-4 dimethyl-1,1 piperazinium methyl sulfate, 1-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-4,4-dimethylpiperazinium methyl sulfate, Piperazinium, 1-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-4,4-dimethyl-, methyl sulfate, Piperazinium, 1-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-4,4-dimethyl-, mehyl sulfate, 4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-1,1-dimethylpiperazin-1-ium methyl sulfate
| Molecular Formula | C22H30N2O4S |
|---|---|
| Molecular Weight | 418.19 g/mol |
| LogP | 2.3596 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 418.19263 |
| Heavy Atoms | 29 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 3774-39-8 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2C3=CC=CC=C3CCC4=CC=CC=C24)C.COS(=O)(=O)[O-] |
| InChIKey | FWLOIZTWQAKTKH-UHFFFAOYSA-M |
Product Overview
RefChem:372740 (CAS 3774-39-8), with molecular formula C22H30N2O4S and molecular weight 418.19 g/mol. IUPAC: 1,1-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-ium;methyl sulfate.
Chemical Property Profile of RefChem:372740
Property Insights of RefChem:372740
The XLogP value of 2.3596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:372740. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372740. Following Lipinski's Rule of Five, RefChem:372740 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:372740?
The CAS number of RefChem:372740 is 3774-39-8.
What is the molecular formula of RefChem:372740?
The molecular formula of RefChem:372740 is C22H30N2O4S.
What is the molecular weight of RefChem:372740?
The molecular weight of RefChem:372740 is 418.19 g/mol.
Where can I buy RefChem:372740?
You can request a quote for RefChem:372740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372740?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.