![3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane structure](/static/products/1310/1310383-28-8.webp)
3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
TL;DR: 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (CAS 1310383-28-8) is a chemical compound with molecular formula C14H19BClNO4 and molecular weight 311.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
Also Known As: 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 1-chloro-4-methyl-2-[(2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undec-3-yl)methox y]benzene, 10-[(2-chloro-5-methyl-phenoxy)methyl]-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane, 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3-[(2-chloro-5-methylphenoxy)methyl]-, 3-[(2-chloro-5-methylphenoxy)methyl]-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane
Technical Specifications
| Molecular Formula | C14H19BClNO4 |
| Molecular Weight | 311.10956 g/mol |
| XLogP | 1.75972 |
| Topological Polar Surface Area (TPSA) | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.10956 Da |
| Heavy Atoms | 21 |
| Complexity | 328.0 |
| SMILES | B12OCCN(CCO1)CC(O2)COC3=C(C=CC(=C3)C)Cl |
| InChIKey | MDVGGIYYLKPGII-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
Property Insights of 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
The XLogP value of 1.75972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane. With a topological polar surface area (TPSA) of 40.2 Ų, 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
The CAS number of 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane is 1310383-28-8.
What is the molecular formula of 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
The molecular formula of 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane is C14H19BClNO4.
What is the molecular weight of 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
The molecular weight of 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane is 311.10956 g/mol.
Where can I buy 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
You can request a quote for 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
Yes, CoreyChem provides custom synthesis services for 3-[(2-chloro-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.