Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3)
TL;DR: Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) (CAS 68141-09-3) is a chemical compound with molecular formula C24H24BCl3O3 and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(4-chloro-3,5-dimethylphenyl) borate
Also Known As: Tris(p-chloro-m-xylenyl)borate, tris(4-chloro-3,5-dimethylphenyl) borate, Phenol, 4-chloro-3,5-dimethyl-, triester with boric acid (H3BO3), Tris(4-chloro-3,5-dimethylphenoxy)borane, 4-Chloro-3,5-dimethylphenol, triester with boric acid
| Molecular Formula | C24H24BCl3O3 |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 8.02 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.0884 |
| Heavy Atoms | 31 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 68141-09-3 |
|---|---|
| SMILES | B(OC1=CC(=C(C(=C1)C)Cl)C)(OC2=CC(=C(C(=C2)C)Cl)C)OC3=CC(=C(C(=C3)C)Cl)C |
| InChIKey | FABFFRBRJHMMPT-UHFFFAOYSA-N |
Product Overview
Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) (CAS 68141-09-3), with molecular formula C24H24BCl3O3 and molecular weight 476.09 g/mol. IUPAC: tris(4-chloro-3,5-dimethylphenyl) borate.
Chemical Property Profile of Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3)
Property Insights of Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3)
The XLogP value of 8.02 indicates that Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3)?
The CAS number of Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) is 68141-09-3.
What is the molecular formula of Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3)?
The molecular formula of Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) is C24H24BCl3O3.
What is the molecular weight of Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3)?
The molecular weight of Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) is 476.09 g/mol.
Where can I buy Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3)?
You can request a quote for Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-chloro-3,5-dimethyl-, 1,1',1''-triester with boric acid (H3BO3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.