Baytan Combi
TL;DR: Baytan Combi (CAS 98100-76-6) is a chemical compound with molecular formula C28H30Cl3N5O3 and molecular weight 589.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
Also Known As: Baytan Combi, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one; 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxy-ethyl]imidazole, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one; 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole, 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one--1-{2-(2,4-dichlorophenyl)-2-[(prop-2-en-1-yl)oxy]ethyl}-1H-imidazole (1/1)
| Molecular Formula | C28H30Cl3N5O3 |
|---|---|
| Molecular Weight | 589.14 g/mol |
| LogP | 7.2581 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 589.1414 |
| Heavy Atoms | 39 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 98100-76-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl.C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl |
| InChIKey | FFWJAVMLPMTUQL-UHFFFAOYSA-N |
Product Overview
Baytan Combi (CAS 98100-76-6), with molecular formula C28H30Cl3N5O3 and molecular weight 589.14 g/mol. IUPAC: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole.
Chemical Property Profile of Baytan Combi
Property Insights of Baytan Combi
The XLogP value of 7.2581 indicates that Baytan Combi is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Baytan Combi. Following Lipinski's Rule of Five, Baytan Combi has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Baytan Combi?
The CAS number of Baytan Combi is 98100-76-6.
What is the molecular formula of Baytan Combi?
The molecular formula of Baytan Combi is C28H30Cl3N5O3.
What is the molecular weight of Baytan Combi?
The molecular weight of Baytan Combi is 589.14 g/mol.
Where can I buy Baytan Combi?
You can request a quote for Baytan Combi directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baytan Combi?
Yes, KEHONG BIO provides custom synthesis services for Baytan Combi and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.