α-(溴甲基)苄基仲丁基醚
TL;DR: α-(溴甲基)苄基仲丁基醚 (CAS 21269-99-8) is a chemical compound with molecular formula C12H17BrO and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-(溴甲基)苄基仲丁基醚
(2-bromo-1-butan-2-yloxyethyl)benzene
Also Known As: alpha-(Bromomethyl)benzyl sec-butyl ether, [2-bromo-1-(butan-2-yloxy)ethyl]benzene, (2-bromo-1-butan-2-yloxyethyl)benzene, (2-Bromo-1-(sec-butoxy)ethyl)benzene, ETHER, alpha-(BROMOMETHYL)BENZYL sec-BUTYL
| Molecular Formula | C12H17BrO |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0463 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 21269-99-8 |
|---|---|
| SMILES | CCC(C)OC(CBr)C1=CC=CC=C1 |
| InChIKey | GSTYZNBELHTTJX-UHFFFAOYSA-N |
Product Overview
α-(溴甲基)苄基仲丁基醚 (CAS 21269-99-8), with molecular formula C12H17BrO and molecular weight 256.05 g/mol. IUPAC: (2-bromo-1-butan-2-yloxyethyl)benzene.
Chemical Property Profile of α-(溴甲基)苄基仲丁基醚
Property Insights of α-(溴甲基)苄基仲丁基醚
The XLogP value of 3.7 indicates that α-(溴甲基)苄基仲丁基醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, α-(溴甲基)苄基仲丁基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-(溴甲基)苄基仲丁基醚 has 0 hydrogen bond donor(s) and 1 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 α-(溴甲基)苄基仲丁基醚?
The CAS number of α-(溴甲基)苄基仲丁基醚 is 21269-99-8.
What is the molecular formula of α-(溴甲基)苄基仲丁基醚?
The molecular formula of α-(溴甲基)苄基仲丁基醚 is C12H17BrO.
What is the molecular weight of α-(溴甲基)苄基仲丁基醚?
The molecular weight of α-(溴甲基)苄基仲丁基醚 is 256.05 g/mol.
Where can I buy α-(溴甲基)苄基仲丁基醚?
You can request a quote for α-(溴甲基)苄基仲丁基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-(溴甲基)苄基仲丁基醚?
Yes, KEHONG BIO provides custom synthesis services for α-(溴甲基)苄基仲丁基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.