Boric acid, isooctyl ester
TL;DR: Boric acid, isooctyl ester (CAS 67989-25-7) is a chemical compound with molecular formula C8H19BO3 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptoxyboronic acid
Also Known As: Isooctyl borate, Boric acid, isooctyl ester, 6-methylheptoxyboronic acid, EINECS 268-009-4, 6-Methylheptyl dihydrogen borate
| Molecular Formula | C8H19BO3 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 1.1889 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.14273 |
| Heavy Atoms | 12 |
| Complexity | 84.303764 |
Chemical Identifiers
| CAS Number | 67989-25-7 |
|---|---|
| SMILES | B(O)(O)OCCCCCC(C)C |
Product Overview
Boric acid, isooctyl ester (CAS 67989-25-7), with molecular formula C8H19BO3 and molecular weight 174.14 g/mol. IUPAC: 6-methylheptoxyboronic acid.
Chemical Property Profile of Boric acid, isooctyl ester
Property Insights of Boric acid, isooctyl ester
The XLogP value of 1.1889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boric acid, isooctyl ester. With a topological polar surface area (TPSA) of 49.69 Ų, Boric acid, isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Boric acid, isooctyl ester has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Boric acid, isooctyl ester?
The CAS number of Boric acid, isooctyl ester is 67989-25-7.
What is the molecular formula of Boric acid, isooctyl ester?
The molecular formula of Boric acid, isooctyl ester is C8H19BO3.
What is the molecular weight of Boric acid, isooctyl ester?
The molecular weight of Boric acid, isooctyl ester is 174.14 g/mol.
Where can I buy Boric acid, isooctyl ester?
You can request a quote for Boric acid, isooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boric acid, isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Boric acid, isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.