RefChem:91341
TL;DR: RefChem:91341 (CAS 67874-84-4) is a chemical compound with molecular formula C14H19ClN4O2 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
Also Known As: 3,4-Methylenedioxybenzyl hexaminium chloride, 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-(1,3-benzodioxol-5-ylmethyl)-, chloride (1:1), 1-(1,3-benzodioxol-5-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decanechloride, 3,5,7-Triaza-1-azoniatricyclo(3.2.1.13,7)decane, 1-(1,3-benzodioxol-5-ylmethyl)-, chloride, 3,5,7-Triaza-1-azoniatricyclo[3.2.1.13,7]decane, 1-(1,3-benzodioxol-5-ylmethyl)-, chloride
| Molecular Formula | C14H19ClN4O2 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | -2.57 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.11966 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 67874-84-4 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC4=CC5=C(C=C4)OCO5.[Cl-] |
| InChIKey | HPCVJTAHVVCJCF-UHFFFAOYSA-M |
Product Overview
RefChem:91341 (CAS 67874-84-4), with molecular formula C14H19ClN4O2 and molecular weight 310.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride.
Chemical Property Profile of RefChem:91341
Property Insights of RefChem:91341
The XLogP value of -2.57 indicates that RefChem:91341 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:91341 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:91341 has 0 hydrogen bond donor(s) and 6 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:91341?
The CAS number of RefChem:91341 is 67874-84-4.
What is the molecular formula of RefChem:91341?
The molecular formula of RefChem:91341 is C14H19ClN4O2.
What is the molecular weight of RefChem:91341?
The molecular weight of RefChem:91341 is 310.12 g/mol.
Where can I buy RefChem:91341?
You can request a quote for RefChem:91341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:91341?
Yes, KEHONG BIO provides custom synthesis services for RefChem:91341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.