RefChem:1076084
TL;DR: RefChem:1076084 (CAS 101997-33-5) is a chemical compound with molecular formula C36H35ClN2O6 and molecular weight 626.2184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzoic acid;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-pyridin-4-ylprop-2-enoate
Also Known As: 2-(p-Chlorophenyl)-3-(4-pyridyl)acrylic acid 3-tropanyl ester 2-(p-hydroxybenzoyl)benzoate, Acrylic acid, 2-(p-chlorophenyl)-3-(4-pyridyl)-, 3-tropanyl ester, 2-(p-hydroxybenzoyl)benzoate, benzoic acid; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-pyridin-4-ylprop-2-enoate
Technical Specifications
| Molecular Formula | C36H35ClN2O6 |
| Molecular Weight | 626.2184 g/mol |
| XLogP | 7.2136 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 626.2184 Da |
| Heavy Atoms | 45 |
| Complexity | 642.0 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)/C(=C\C3=CC=NC=C3)/C4=CC=C(C=C4)Cl.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O |
| InChIKey | NWAJHWKZQKAWQT-LAAUYLTFSA-N |
Chemical Property Profile of RefChem:1076084
Property Insights of RefChem:1076084
The XLogP value of 7.2136 indicates that RefChem:1076084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1076084. Following Lipinski's Rule of Five, RefChem:1076084 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1076084?
The CAS number of RefChem:1076084 is 101997-33-5.
What is the molecular formula of RefChem:1076084?
The molecular formula of RefChem:1076084 is C36H35ClN2O6.
What is the molecular weight of RefChem:1076084?
The molecular weight of RefChem:1076084 is 626.2184 g/mol.
Where can I buy RefChem:1076084?
You can request a quote for RefChem:1076084 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1076084?
Yes, CoreyChem provides custom synthesis services for RefChem:1076084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.