4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)
TL;DR: 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride) (CAS 136370-19-9) is a chemical compound with molecular formula C13H21BO3 and molecular weight 236.15837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-heptoxyphenyl)boronic acid
Also Known As: 4-Heptyloxyphenylboronic acid, (4-heptoxyphenyl)boronic Acid, 4-(n-Heptyloxy)benzeneboronic acid, 4-(heptyloxy)phenylboronic acid, 4-Heptyloxyphenylboronicacid
Technical Specifications
| Molecular Formula | C13H21BO3 |
| Molecular Weight | 236.15837 g/mol |
| XLogP | 1.7156 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.15837 Da |
| Heavy Atoms | 17 |
| Complexity | 180.0 |
| SMILES | B(C1=CC=C(C=C1)OCCCCCCC)(O)O |
| InChIKey | UHRONCCLURKEKO-UHFFFAOYSA-N |
Chemical Property Profile of 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)
Property Insights of 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)
The XLogP value of 1.7156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride). With a topological polar surface area (TPSA) of 49.7 Ų, 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride) 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
What is the CAS number of 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)?
The CAS number of 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride) is 136370-19-9.
What is the molecular formula of 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)?
The molecular formula of 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride) is C13H21BO3.
What is the molecular weight of 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)?
The molecular weight of 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride) is 236.15837 g/mol.
Where can I buy 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)?
You can request a quote for 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)?
Yes, CoreyChem provides custom synthesis services for 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.