RefChem:276771
TL;DR: RefChem:276771 (CAS 68392-66-5) is a chemical compound with molecular formula C29H27NO2 and molecular weight 421.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-ethynyl-9-hydroxy-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
Also Known As: (endo,endo,syn)-3-Benzoyl-2,4-diphenyl-9-ethynyl-3-azabicyclo(3.3.1)nonan-9-ol, 3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-9-ethynyl-2,4-diphenyl-, endo-, 3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-2,4-diphenyl-9-ethynyl-, (endo,endo,syn)-, (9-ethynyl-9-hydroxy-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-3-yl)-phenylmethanone, N-benzoyl-2,4-diphenyl-9-ethynyl-3-azabicyclo[3.3.1]nonane-9-ol
| Molecular Formula | C29H27NO2 |
|---|---|
| Molecular Weight | 421.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.2042 |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 68392-66-5 |
|---|---|
| SMILES | C#CC1(C2CCCC1C(N(C2C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5)O |
| InChIKey | SBDCSSFKGJMKST-UHFFFAOYSA-N |
Product Overview
RefChem:276771 (CAS 68392-66-5), with molecular formula C29H27NO2 and molecular weight 421.20 g/mol. IUPAC: (9-ethynyl-9-hydroxy-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-3-yl)-phenylmethanone.
Chemical Property Profile of RefChem:276771
Property Insights of RefChem:276771
The XLogP value of 5.0 indicates that RefChem:276771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, RefChem:276771 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276771 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:276771?
The CAS number of RefChem:276771 is 68392-66-5.
What is the molecular formula of RefChem:276771?
The molecular formula of RefChem:276771 is C29H27NO2.
What is the molecular weight of RefChem:276771?
The molecular weight of RefChem:276771 is 421.20 g/mol.
Where can I buy RefChem:276771?
You can request a quote for RefChem:276771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276771?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.