![3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane structure](/static/products/1310/1310384-47-4.webp)
3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
TL;DR: 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (CAS 1310384-47-4) is a chemical compound with molecular formula C16H24BNO4 and molecular weight 305.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
Also Known As: 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 10-[(3-ethyl-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-[(3-ethyl-5-methylphenoxy)methyl]-, 3-(3-ETHYL-5-METHYLPHENOXYMETHYL)-2,8,9-TRIOXA-5-AZA-1-BORABICYCLO[3.3.3]UNDECANE, 3-[(3-ethyl-5-methylphenoxy)methyl]-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane
| Molecular Formula | C16H24BNO4 |
|---|---|
| Molecular Weight | 305.18 g/mol |
| LogP | 1.66872 |
| Topological Polar Surface Area | 40.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.17984 |
| Heavy Atoms | 22 |
| Complexity | 475.03418 |
Chemical Identifiers
| CAS Number | 1310384-47-4 |
|---|---|
| SMILES | B12OCCN(CCO1)CC(O2)COC3=CC(=CC(=C3)CC)C |
Product Overview
3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (CAS 1310384-47-4), with molecular formula C16H24BNO4 and molecular weight 305.18 g/mol. IUPAC: 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane.
Chemical Property Profile of 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
Property Insights of 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
The XLogP value of 1.66872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane. With a topological polar surface area (TPSA) of 40.16 Ų, 3-[(3-ethyl-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-[(3-ethyl-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
Frequently Asked Questions
What is the CAS number of 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
The CAS number of 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane is 1310384-47-4.
What is the molecular formula of 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
The molecular formula of 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane is C16H24BNO4.
What is the molecular weight of 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
The molecular weight of 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane is 305.18 g/mol.
Where can I buy 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
You can request a quote for 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-ethyl-5-methylphenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-ethyl-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.