RefChem:872868
TL;DR: RefChem:872868 (CAS 2416218-93-2) is a chemical compound with molecular formula C27H25FN2O and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,10S,11S,12R)-N-(4-fluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
Also Known As: rac-(1R,2S,10R,11R,12S)-N-(4-fluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.0^{2,11}.0^{3,8}]pentadeca-3,5,7-triene-5-carboxamide, (1S,2R,10S,11S,12R)-N-(4-Fluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide, rac-(1R,2S,10R,11R,12S)-N-(4-fluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.0^{2,11}.0^{3,8}]pentadeca-3(8),4,6-triene-5-carboxamide, 952-292-2, rac-(1R,2S,10R,11R,12S)-N-(4-fluorophenyl)-10-phenyl-9-azatetracyclo(10.2.1.0^(2,11).0^(3,8))pentadeca-3,5,7-triene-5-carboxamide
| Molecular Formula | C27H25FN2O |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 6.3745 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.1951 |
| Heavy Atoms | 31 |
| Complexity | 1127.7332 |
Chemical Identifiers
| CAS Number | 2416218-93-2 |
|---|---|
| SMILES | C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)N[C@@H]3C6=CC=CC=C6 |
Product Overview
RefChem:872868 (CAS 2416218-93-2), with molecular formula C27H25FN2O and molecular weight 412.20 g/mol. IUPAC: (1S,2R,10S,11S,12R)-N-(4-fluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide.
Chemical Property Profile of RefChem:872868
Property Insights of RefChem:872868
The XLogP value of 6.3745 indicates that RefChem:872868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, RefChem:872868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:872868 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:872868?
The CAS number of RefChem:872868 is 2416218-93-2.
What is the molecular formula of RefChem:872868?
The molecular formula of RefChem:872868 is C27H25FN2O.
What is the molecular weight of RefChem:872868?
The molecular weight of RefChem:872868 is 412.20 g/mol.
Where can I buy RefChem:872868?
You can request a quote for RefChem:872868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:872868?
Yes, KEHONG BIO provides custom synthesis services for RefChem:872868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.