硼酸三(3,5-二甲基-4-庚基)酯
TL;DR: 硼酸三(3,5-二甲基-4-庚基)酯 (CAS 73758-18-6) is a chemical compound with molecular formula C27H57BO3 and molecular weight 440.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硼酸三(3,5-二甲基-4-庚基)酯
tris(3,5-dimethylheptan-4-yl) borate
Also Known As: Tri(diisobutylcarbinyl) borate, tris(3,5-dimethylheptan-4-yl) borate, Tris(3,5-dimethyl-4-heptyl) borate, Tris[1- -2-methylbutoxy]borane, Boric acid,5-dimethyl-4-heptyl) ester
| Molecular Formula | C27H57BO3 |
|---|---|
| Molecular Weight | 440.44 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 440.44006 |
| Heavy Atoms | 31 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 73758-18-6 |
|---|---|
| SMILES | B(OC(C(C)CC)C(C)CC)(OC(C(C)CC)C(C)CC)OC(C(C)CC)C(C)CC |
| InChIKey | DALDOQDZVZPDLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硼酸三(3,5-二甲基-4-庚基)酯 (CAS 73758-18-6), with molecular formula C27H57BO3 and molecular weight 440.44 g/mol. IUPAC: tris(3,5-dimethylheptan-4-yl) borate.
Chemical Property Profile of 硼酸三(3,5-二甲基-4-庚基)酯
Property Insights of 硼酸三(3,5-二甲基-4-庚基)酯
The XLogP value of 8.4 indicates that 硼酸三(3,5-二甲基-4-庚基)酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 硼酸三(3,5-二甲基-4-庚基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硼酸三(3,5-二甲基-4-庚基)酯 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 硼酸三(3,5-二甲基-4-庚基)酯?
The CAS number of 硼酸三(3,5-二甲基-4-庚基)酯 is 73758-18-6.
What is the molecular formula of 硼酸三(3,5-二甲基-4-庚基)酯?
The molecular formula of 硼酸三(3,5-二甲基-4-庚基)酯 is C27H57BO3.
What is the molecular weight of 硼酸三(3,5-二甲基-4-庚基)酯?
The molecular weight of 硼酸三(3,5-二甲基-4-庚基)酯 is 440.44 g/mol.
Where can I buy 硼酸三(3,5-二甲基-4-庚基)酯?
You can request a quote for 硼酸三(3,5-二甲基-4-庚基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硼酸三(3,5-二甲基-4-庚基)酯?
Yes, KEHONG BIO provides custom synthesis services for 硼酸三(3,5-二甲基-4-庚基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.