RefChem:117695
TL;DR: RefChem:117695 (CAS 83044-90-0) is a chemical compound with molecular formula C27H36ClN3O3 and molecular weight 485.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
Also Known As: Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester, 2-Ethylhexyl 3-(3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl)propionate, 2-Ethylhexyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate, 2-ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate, 2-ethylhexyl 3-[3-tert-butyl-5-(5-chloro-2H-1,2,3-benzotriazol-2-yl)-4-hydroxyphenyl]propanoate
| Molecular Formula | C27H36ClN3O3 |
|---|---|
| Molecular Weight | 485.24 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 485.2445 |
| Heavy Atoms | 34 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 83044-90-0 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C |
| InChIKey | AWEVLIFGIMIQHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:117695 (CAS 83044-90-0), with molecular formula C27H36ClN3O3 and molecular weight 485.24 g/mol. IUPAC: 2-ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate.
Chemical Property Profile of RefChem:117695
Property Insights of RefChem:117695
The XLogP value of 8.5 indicates that RefChem:117695 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117695. Following Lipinski's Rule of Five, RefChem:117695 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 RefChem:117695?
The CAS number of RefChem:117695 is 83044-90-0.
What is the molecular formula of RefChem:117695?
The molecular formula of RefChem:117695 is C27H36ClN3O3.
What is the molecular weight of RefChem:117695?
The molecular weight of RefChem:117695 is 485.24 g/mol.
Where can I buy RefChem:117695?
You can request a quote for RefChem:117695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117695?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.