4-Propylmercapto-benzaldehyd
TL;DR: 4-Propylmercapto-benzaldehyd (CAS 84268-08-6) is a chemical compound with molecular formula C25H33N3O3 and molecular weight 423.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
Also Known As: 4-Propylmercapto-benzaldehyd, Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester, Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester, hexyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate, Hexyl 3-(3-benzotriazol-2-yl-4-hydroxy-5-tert-butyl-phenyl)propanoate
| Molecular Formula | C25H33N3O3 |
|---|---|
| Molecular Weight | 423.25 g/mol |
| LogP | 5.4797 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.2522 |
| Heavy Atoms | 31 |
| Complexity | 1001.1585 |
Chemical Identifiers
| CAS Number | 84268-08-6 |
|---|---|
| SMILES | CCCCCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C |
Product Overview
4-Propylmercapto-benzaldehyd (CAS 84268-08-6), with molecular formula C25H33N3O3 and molecular weight 423.25 g/mol. IUPAC: hexyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate.
Chemical Property Profile of 4-Propylmercapto-benzaldehyd
Property Insights of 4-Propylmercapto-benzaldehyd
The XLogP value of 5.4797 indicates that 4-Propylmercapto-benzaldehyd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Propylmercapto-benzaldehyd. Following Lipinski's Rule of Five, 4-Propylmercapto-benzaldehyd has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Propylmercapto-benzaldehyd?
The CAS number of 4-Propylmercapto-benzaldehyd is 84268-08-6.
What is the molecular formula of 4-Propylmercapto-benzaldehyd?
The molecular formula of 4-Propylmercapto-benzaldehyd is C25H33N3O3.
What is the molecular weight of 4-Propylmercapto-benzaldehyd?
The molecular weight of 4-Propylmercapto-benzaldehyd is 423.25 g/mol.
Where can I buy 4-Propylmercapto-benzaldehyd?
You can request a quote for 4-Propylmercapto-benzaldehyd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propylmercapto-benzaldehyd?
Yes, KEHONG BIO provides custom synthesis services for 4-Propylmercapto-benzaldehyd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.