RefChem:349707
TL;DR: RefChem:349707 (CAS 73826-54-7) is a chemical compound with molecular formula C28H35Cl2N3O and molecular weight 499.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-piperidin-1-ium-1-yl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethyl]piperidin-1-ium-4-carboxamide dichloride
Also Known As: Isonipecotamide, 1-(2-(10,11-dihydrodibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-piperidino-, dihydrochloride, ISONIPECOTAMIDE, 1-(2-(10,11-DIHYDRODIBENZO(a,d)CYCLOHEPTEN-5-YLIDENE)ETHYL)-4-P, [1,4'-Bipiperidine]-4'-carboxamide, 1'-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)ethyl]-, dihydrochloride, RefChem:349707
| Molecular Formula | C28H35Cl2N3O |
|---|---|
| Molecular Weight | 499.22 g/mol |
| LogP | -4.42 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.21573 |
| Heavy Atoms | 34 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 73826-54-7 |
|---|---|
| SMILES | C1CC[NH+](CC1)C2(CC[NH+](CC2)CC=C3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N.[Cl-].[Cl-] |
| InChIKey | UALOHGDWLWLPFB-UHFFFAOYSA-N |
Product Overview
RefChem:349707 (CAS 73826-54-7), with molecular formula C28H35Cl2N3O and molecular weight 499.22 g/mol. IUPAC: 4-piperidin-1-ium-1-yl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethyl]piperidin-1-ium-4-carboxamide dichloride.
Chemical Property Profile of RefChem:349707
Property Insights of RefChem:349707
The XLogP value of -4.42 indicates that RefChem:349707 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:349707 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349707 has 3 hydrogen bond donor(s) and 3 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:349707?
The CAS number of RefChem:349707 is 73826-54-7.
What is the molecular formula of RefChem:349707?
The molecular formula of RefChem:349707 is C28H35Cl2N3O.
What is the molecular weight of RefChem:349707?
The molecular weight of RefChem:349707 is 499.22 g/mol.
Where can I buy RefChem:349707?
You can request a quote for RefChem:349707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349707?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.