11-Bromoundecanenitrile
TL;DR: 11-Bromoundecanenitrile (CAS 85136-37-4) is a chemical compound with molecular formula C11H20BrN and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-bromoundecanenitrile
Also Known As: 11-Bromoundecanenitrile, Undecanenitrile,11-bromo-, Undecanenitrile, 11-bromo-, 11-Bromoundecanenitrile #, J3.592.343H
| Molecular Formula | C11H20BrN |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 245.07791 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 85136-37-4 |
|---|---|
| SMILES | C(CCCCCBr)CCCCC#N |
| InChIKey | LPCZYFKPSJYXDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11-Bromoundecanenitrile (CAS 85136-37-4), with molecular formula C11H20BrN and molecular weight 245.08 g/mol. IUPAC: 11-bromoundecanenitrile.
Chemical Property Profile of 11-Bromoundecanenitrile
Property Insights of 11-Bromoundecanenitrile
The XLogP value of 4.1 indicates that 11-Bromoundecanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 11-Bromoundecanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Bromoundecanenitrile 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 11-Bromoundecanenitrile?
The CAS number of 11-Bromoundecanenitrile is 85136-37-4.
What is the molecular formula of 11-Bromoundecanenitrile?
The molecular formula of 11-Bromoundecanenitrile is C11H20BrN.
What is the molecular weight of 11-Bromoundecanenitrile?
The molecular weight of 11-Bromoundecanenitrile is 245.08 g/mol.
Where can I buy 11-Bromoundecanenitrile?
You can request a quote for 11-Bromoundecanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Bromoundecanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 11-Bromoundecanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.