三甲基环三硼氧烷
TL;DR: 三甲基环三硼氧烷 (CAS 836-79-3) is a chemical compound with molecular formula C3H9B3O3 and molecular weight 126.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三甲基环三硼氧烷
2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
Also Known As: Trimethylboroxine, Trimethylboroxin, trimethyboroxine, Boroxin, trimethyl-, trimethyl boroxin
| Molecular Formula | C3H9B3O3 |
|---|---|
| Molecular Weight | 126.08 g/mol |
| LogP | 0.4038 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.083084 |
| Heavy Atoms | 9 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 836-79-3 |
|---|---|
| SMILES | B1(OB(OB(O1)C)C)C |
| InChIKey | GBBSAMQTQCPOBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三甲基环三硼氧烷 (CAS 836-79-3), with molecular formula C3H9B3O3 and molecular weight 126.08 g/mol. IUPAC: 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.
Chemical Property Profile of 三甲基环三硼氧烷
Property Insights of 三甲基环三硼氧烷
The XLogP value of 0.4038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三甲基环三硼氧烷. With a topological polar surface area (TPSA) of 27.7 Ų, 三甲基环三硼氧烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三甲基环三硼氧烷 has 0 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 三甲基环三硼氧烷?
The CAS number of 三甲基环三硼氧烷 is 836-79-3.
What is the molecular formula of 三甲基环三硼氧烷?
The molecular formula of 三甲基环三硼氧烷 is C3H9B3O3.
What is the molecular weight of 三甲基环三硼氧烷?
The molecular weight of 三甲基环三硼氧烷 is 126.08 g/mol.
Where can I buy 三甲基环三硼氧烷?
You can request a quote for 三甲基环三硼氧烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三甲基环三硼氧烷?
Yes, KEHONG BIO provides custom synthesis services for 三甲基环三硼氧烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.