RefChem:305520
TL;DR: RefChem:305520 (CAS 78110-16-4) is a chemical compound with molecular formula C22H28BrNO and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol bromide
Also Known As: 10,11-Dihydro-5-(1-methyl-2-(pyrrolidinyl)ethyl)-5H-dibenzo(a,d)cyclohepten-5-ol HBr, 5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(1-methyl-2-(pyrrolidinyl)ethyl)-, hydrobromide, 5H-DIBENZO(a,d)CYCLOHEPTEN-5-OL, 10,11-DIHYDRO-5-(1-METHYL-2-(PYRROLIDINYL)ETHYL, 5H-Dibenzo[a,d]cyclohepten-5-ol, 10,11-dihydro-5-[1-methyl-2-(1-pyrrolidinyl)ethyl]-, hydrobromide, RefChem:305520
| Molecular Formula | C22H28BrNO |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | -0.52 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.13544 |
| Heavy Atoms | 25 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 78110-16-4 |
|---|---|
| SMILES | C[NH+]1CCCC1CCC2(C3=CC=CC=C3CCC4=CC=CC=C42)O.[Br-] |
| InChIKey | HDVPXZOYSLNVDE-UHFFFAOYSA-N |
Product Overview
RefChem:305520 (CAS 78110-16-4), with molecular formula C22H28BrNO and molecular weight 401.14 g/mol. IUPAC: 2-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol bromide.
Chemical Property Profile of RefChem:305520
Property Insights of RefChem:305520
The XLogP value of -0.52 indicates that RefChem:305520 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, RefChem:305520 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305520 has 2 hydrogen bond donor(s) and 2 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:305520?
The CAS number of RefChem:305520 is 78110-16-4.
What is the molecular formula of RefChem:305520?
The molecular formula of RefChem:305520 is C22H28BrNO.
What is the molecular weight of RefChem:305520?
The molecular weight of RefChem:305520 is 401.14 g/mol.
Where can I buy RefChem:305520?
You can request a quote for RefChem:305520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305520?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.