RefChem:305549
TL;DR: RefChem:305549 (CAS 67196-66-1) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydrogen sulfate;1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperidin-1-ium
Also Known As: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(1-methyl-2-piperidyl)ethylidene)-, hydrogen sulfate, 5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-(2-(1-METHYL-2-PIPERIDYL)ETHYLIDENE, Piperidine, 2-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)ethyl]-1-methyl-, sulfate (1:1), RefChem:305549
| Molecular Formula | C23H29NO4S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 2.68 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.18173 |
| Heavy Atoms | 29 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 67196-66-1 |
|---|---|
| SMILES | C[NH+]1CCCCC1CC=C2C3=CC=CC=C3CCC4=CC=CC=C42.OS(=O)(=O)[O-] |
| InChIKey | ZLLIFVSDYDWMFP-UHFFFAOYSA-N |
Product Overview
RefChem:305549 (CAS 67196-66-1), with molecular formula C23H29NO4S and molecular weight 415.18 g/mol. IUPAC: hydrogen sulfate;1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperidin-1-ium.
Chemical Property Profile of RefChem:305549
Property Insights of RefChem:305549
The XLogP value of 2.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305549. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305549. Following Lipinski's Rule of Five, RefChem:305549 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:305549?
The CAS number of RefChem:305549 is 67196-66-1.
What is the molecular formula of RefChem:305549?
The molecular formula of RefChem:305549 is C23H29NO4S.
What is the molecular weight of RefChem:305549?
The molecular weight of RefChem:305549 is 415.18 g/mol.
Where can I buy RefChem:305549?
You can request a quote for RefChem:305549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305549?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.