RefChem:305563
TL;DR: RefChem:305563 (CAS 67196-61-6) is a chemical compound with molecular formula C22H25ClN2 and molecular weight 352.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methylpyrrolidin-1-ium-3-yl)methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile chloride
Also Known As: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(1-methyl-3-pyrrolidinyl)methyl-, hydrochloride, 5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-CYANO-5-(1-METHYL-3-PYRROLIDINYL)ME, 5H-Dibenzo[a,d]cycloheptene-5-carbonitrile, 10,11-dihydro-5-[(1-methyl-3-pyrrolidinyl)methyl]-, monohydrochloride, RefChem:305563
| Molecular Formula | C22H25ClN2 |
|---|---|
| Molecular Weight | 352.17 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17062 |
| Heavy Atoms | 25 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 67196-61-6 |
|---|---|
| SMILES | C[NH+]1CCC(C1)CC2(C3=CC=CC=C3CCC4=CC=CC=C42)C#N.[Cl-] |
| InChIKey | FMTUTMSMCGIWGS-UHFFFAOYSA-N |
Product Overview
RefChem:305563 (CAS 67196-61-6), with molecular formula C22H25ClN2 and molecular weight 352.17 g/mol. IUPAC: 2-[(1-methylpyrrolidin-1-ium-3-yl)methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile chloride.
Chemical Property Profile of RefChem:305563
Property Insights of RefChem:305563
The XLogP value of -0.48 indicates that RefChem:305563 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 28.2 Ų, RefChem:305563 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305563 has 1 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:305563?
The CAS number of RefChem:305563 is 67196-61-6.
What is the molecular formula of RefChem:305563?
The molecular formula of RefChem:305563 is C22H25ClN2.
What is the molecular weight of RefChem:305563?
The molecular weight of RefChem:305563 is 352.17 g/mol.
Where can I buy RefChem:305563?
You can request a quote for RefChem:305563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305563?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.