2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)
TL;DR: 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) (CAS 5337-37-1) is a chemical compound with molecular formula C18H39BO3 and molecular weight 314.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(4-methylpentan-2-yl) borate
Also Known As: Boricacidtris ester, tris(4-methylpentan-2-yl) borate, Tri(methylisobutylcarbinyl)borate, (Methylisobutylcarbinyl) borate, tri-, Tri(4-methyl-2-pentyl) Borate
| Molecular Formula | C18H39BO3 |
|---|---|
| Molecular Weight | 314.30 g/mol |
| LogP | 5.32 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 314.29922 |
| Heavy Atoms | 22 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 5337-37-1 |
|---|---|
| SMILES | B(OC(C)CC(C)C)(OC(C)CC(C)C)OC(C)CC(C)C |
| InChIKey | ARFPYOUWHGVCEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) (CAS 5337-37-1), with molecular formula C18H39BO3 and molecular weight 314.30 g/mol. IUPAC: tris(4-methylpentan-2-yl) borate.
Chemical Property Profile of 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)
Property Insights of 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)
The XLogP value of 5.32 indicates that 2-Pentanol, 4-methyl-, 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, 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanol, 4-methyl-, 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 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)?
The CAS number of 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) is 5337-37-1.
What is the molecular formula of 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)?
The molecular formula of 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) is C18H39BO3.
What is the molecular weight of 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)?
The molecular weight of 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) is 314.30 g/mol.
Where can I buy 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)?
You can request a quote for 2-Pentanol, 4-methyl-, 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 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.