仲丁醇铝
TL;DR: 仲丁醇铝 (CAS 2269-26-3) is a chemical compound with molecular formula C21H24BrNO and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
仲丁醇铝
diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]-methylazanium bromide
Also Known As: aluminium s-butoxide, Diethyl(3-(9-hydroxyfluoren-9-yl)-2-propynyl)methylammonium bromide, AMMONIUM, DIETHYL(3-(9-HYDROXYFLUOREN-9-YL)-2-PROPYNYL)METHYL-, BROMIDE, 2-Propyn-1-aminium, N,N-diethyl-3-(9-hydroxy-9H-fluoren-9-yl)-N-methyl-, bromide, diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]-methylazanium bromide
| Molecular Formula | C21H24BrNO |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.10413 |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 2269-26-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O.[Br-] |
| InChIKey | FYTIEIKKNHEYIX-UHFFFAOYSA-M |
Product Overview
仲丁醇铝 (CAS 2269-26-3), with molecular formula C21H24BrNO and molecular weight 385.10 g/mol. IUPAC: diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]-methylazanium bromide.
Chemical Property Profile of 仲丁醇铝
Property Insights of 仲丁醇铝
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 仲丁醇铝. With a topological polar surface area (TPSA) of 20.2 Ų, 仲丁醇铝 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 仲丁醇铝 has 1 hydrogen bond donor(s) and 2 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 仲丁醇铝?
The CAS number of 仲丁醇铝 is 2269-26-3.
What is the molecular formula of 仲丁醇铝?
The molecular formula of 仲丁醇铝 is C21H24BrNO.
What is the molecular weight of 仲丁醇铝?
The molecular weight of 仲丁醇铝 is 385.10 g/mol.
Where can I buy 仲丁醇铝?
You can request a quote for 仲丁醇铝 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仲丁醇铝?
Yes, KEHONG BIO provides custom synthesis services for 仲丁醇铝 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.