RefChem:305546
TL;DR: RefChem:305546 (CAS 67195-18-0) is a chemical compound with molecular formula C22H27NO4S and molecular weight 401.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydrogen sulfate;1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)piperidin-1-ium
Also Known As: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(1-methyl-3-piperidylmethylene)-, hydrogen sulfate, 5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-(1-METHYL-3-PIPERIDYLMETHYLENE)-, H, Piperidine, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)methyl]-1-methyl-, sulfate (1:1), RefChem:305546
| Molecular Formula | C22H27NO4S |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 401.16608 |
| Heavy Atoms | 28 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 67195-18-0 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)C=C2C3=CC=CC=C3CCC4=CC=CC=C42.OS(=O)(=O)[O-] |
| InChIKey | GHVVJXZGCWZNTK-UHFFFAOYSA-N |
Product Overview
RefChem:305546 (CAS 67195-18-0), with molecular formula C22H27NO4S and molecular weight 401.17 g/mol. IUPAC: hydrogen sulfate;1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)piperidin-1-ium.
Chemical Property Profile of RefChem:305546
Property Insights of RefChem:305546
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305546. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305546. Following Lipinski's Rule of Five, RefChem:305546 has 2 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:305546?
The CAS number of RefChem:305546 is 67195-18-0.
What is the molecular formula of RefChem:305546?
The molecular formula of RefChem:305546 is C22H27NO4S.
What is the molecular weight of RefChem:305546?
The molecular weight of RefChem:305546 is 401.17 g/mol.
Where can I buy RefChem:305546?
You can request a quote for RefChem:305546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305546?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.