EINECS 280-173-9
TL;DR: EINECS 280-173-9 (CAS 83044-91-1) is a chemical compound with molecular formula C20H22ClN3O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
Also Known As: EINECS 280-173-9, METHYL 3-[3-TERT-BUTYL-4-HYDROXY-5-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)PHENYL]PROPIONATE, methyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate, methyl3-[3-tert-butyl-4-hydroxy-5- phenyl]propionate, Methyl 3-(3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl)propionate
| Molecular Formula | C20H22ClN3O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 4.1826 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.13498 |
| Heavy Atoms | 27 |
| Complexity | 1005.61 |
Chemical Identifiers
| CAS Number | 83044-91-1 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC(=CC3=N2)Cl)O |
Product Overview
EINECS 280-173-9 (CAS 83044-91-1), with molecular formula C20H22ClN3O3 and molecular weight 387.13 g/mol. IUPAC: methyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate.
Chemical Property Profile of EINECS 280-173-9
Property Insights of EINECS 280-173-9
The XLogP value of 4.1826 indicates that EINECS 280-173-9 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 EINECS 280-173-9. Following Lipinski's Rule of Five, EINECS 280-173-9 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 280-173-9?
The CAS number of EINECS 280-173-9 is 83044-91-1.
What is the molecular formula of EINECS 280-173-9?
The molecular formula of EINECS 280-173-9 is C20H22ClN3O3.
What is the molecular weight of EINECS 280-173-9?
The molecular weight of EINECS 280-173-9 is 387.13 g/mol.
Where can I buy EINECS 280-173-9?
You can request a quote for EINECS 280-173-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 280-173-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 280-173-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.