氯化苯吖啶烷
TL;DR: 氯化苯吖啶烷 (CAS 3131-08-6) is a chemical compound with molecular formula C26H28ClNO and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化苯吖啶烷
9-(4-hexoxyphenyl)-10-methylacridin-10-ium chloride
Also Known As: Phenacridane chloride, Phenacridan, Acrizane, Acrizane chloride, Phenacridane
| Molecular Formula | C26H28ClNO |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.18594 |
| Heavy Atoms | 29 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 3131-08-6 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.[Cl-] |
| InChIKey | LDMMYYWIJJTTHG-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化苯吖啶烷 (CAS 3131-08-6), with molecular formula C26H28ClNO and molecular weight 405.19 g/mol. IUPAC: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium chloride.
Chemical Property Profile of 氯化苯吖啶烷
Property Insights of 氯化苯吖啶烷
The XLogP value of 3.45 indicates that 氯化苯吖啶烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 氯化苯吖啶烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化苯吖啶烷 has 0 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 氯化苯吖啶烷?
The CAS number of 氯化苯吖啶烷 is 3131-08-6.
What is the molecular formula of 氯化苯吖啶烷?
The molecular formula of 氯化苯吖啶烷 is C26H28ClNO.
What is the molecular weight of 氯化苯吖啶烷?
The molecular weight of 氯化苯吖啶烷 is 405.19 g/mol.
Where can I buy 氯化苯吖啶烷?
You can request a quote for 氯化苯吖啶烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化苯吖啶烷?
Yes, KEHONG BIO provides custom synthesis services for 氯化苯吖啶烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.