RefChem:117708
TL;DR: RefChem:117708 (CAS 65416-31-1) is a chemical compound with molecular formula C39H57BO3 and molecular weight 584.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris[2-methyl-3-(4-propan-2-ylphenyl)propyl] borate
Also Known As: Benzenepropanol, beta-methyl-4-(1-methylethyl)-, triester with boric acid (H3BO3), tris[2-methyl-3-(4-propan-2-ylphenyl)propyl] borate, Tris{2-methyl-3-[4-(propan-2-yl)phenyl]propyl} borate, Benzenepropanol, beta-methyl-4-(1-methylethyl)-, 1,1',1''-triester with boric acid (H3BO3), Benzenepropanol, .beta.-methyl-4-(1-methylethyl)-, triester with boric acid (H3BO3)
| Molecular Formula | C39H57BO3 |
|---|---|
| Molecular Weight | 584.44 g/mol |
| LogP | 10.03 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 584.44006 |
| Heavy Atoms | 43 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 65416-31-1 |
|---|---|
| SMILES | B(OCC(C)CC1=CC=C(C=C1)C(C)C)(OCC(C)CC2=CC=C(C=C2)C(C)C)OCC(C)CC3=CC=C(C=C3)C(C)C |
| InChIKey | CJBABDYWUBZTID-UHFFFAOYSA-N |
Product Overview
RefChem:117708 (CAS 65416-31-1), with molecular formula C39H57BO3 and molecular weight 584.44 g/mol. IUPAC: tris[2-methyl-3-(4-propan-2-ylphenyl)propyl] borate.
Chemical Property Profile of RefChem:117708
Property Insights of RefChem:117708
The XLogP value of 10.03 indicates that RefChem:117708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:117708 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117708 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 RefChem:117708?
The CAS number of RefChem:117708 is 65416-31-1.
What is the molecular formula of RefChem:117708?
The molecular formula of RefChem:117708 is C39H57BO3.
What is the molecular weight of RefChem:117708?
The molecular weight of RefChem:117708 is 584.44 g/mol.
Where can I buy RefChem:117708?
You can request a quote for RefChem:117708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.