C29H29ClN6O2
TL;DR: C29H29ClN6O2 (CAS 1008880-62-3) is a chemical compound with molecular formula C29H29ClN6O2 and molecular weight 528.20404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide
Also Known As: (E)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide, (E)-N-(3-(1H-imidazol-1-yl)propyl)-3-(3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide, C29H29ClN6O2
Technical Specifications
| Molecular Formula | C29H29ClN6O2 |
| Molecular Weight | 528.20404 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 528.20404 Da |
| Heavy Atoms | 38 |
| Complexity | 825.0 |
| SMILES | CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)Cl |
| InChIKey | QHTHGZXZKUIGGT-HAVVHWLPSA-N |
Chemical Property Profile of C29H29ClN6O2
Property Insights of C29H29ClN6O2
The XLogP value of 5.1 indicates that C29H29ClN6O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H29ClN6O2. Following Lipinski's Rule of Five, C29H29ClN6O2 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C29H29ClN6O2?
The CAS number of C29H29ClN6O2 is 1008880-62-3.
What is the molecular formula of C29H29ClN6O2?
The molecular formula of C29H29ClN6O2 is C29H29ClN6O2.
What is the molecular weight of C29H29ClN6O2?
The molecular weight of C29H29ClN6O2 is 528.20404 g/mol.
Where can I buy C29H29ClN6O2?
You can request a quote for C29H29ClN6O2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H29ClN6O2?
Yes, CoreyChem provides custom synthesis services for C29H29ClN6O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.