C30H29ClN4O4
TL;DR: C30H29ClN4O4 (CAS 84496-15-1) is a chemical compound with molecular formula C30H29ClN4O4 and molecular weight 544.18774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[4-[[5-chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoyl]amino]benzoate
Also Known As: Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-2-oxo-1-(1-piperidinylmethyl)-3H-indol-3-ylidene)amino)benzoyl)amino)-, ethyl ester, ethyl 4-[[4-[[5-chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoyl]amino]benzoate, BRN 5198886
Technical Specifications
| Molecular Formula | C30H29ClN4O4 |
| Molecular Weight | 544.18774 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.18774 Da |
| Heavy Atoms | 39 |
| Complexity | 907.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCCCC5 |
| InChIKey | WVCSLSBBFNGFGE-UHFFFAOYSA-N |
Chemical Property Profile of C30H29ClN4O4
Property Insights of C30H29ClN4O4
The XLogP value of 5.4 indicates that C30H29ClN4O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C30H29ClN4O4. Following Lipinski's Rule of Five, C30H29ClN4O4 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C30H29ClN4O4?
The CAS number of C30H29ClN4O4 is 84496-15-1.
What is the molecular formula of C30H29ClN4O4?
The molecular formula of C30H29ClN4O4 is C30H29ClN4O4.
What is the molecular weight of C30H29ClN4O4?
The molecular weight of C30H29ClN4O4 is 544.18774 g/mol.
Where can I buy C30H29ClN4O4?
You can request a quote for C30H29ClN4O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C30H29ClN4O4?
Yes, CoreyChem provides custom synthesis services for C30H29ClN4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.