Heptanenitrile, 7-bromo-
TL;DR: Heptanenitrile, 7-bromo- (CAS 20965-27-9) is a chemical compound with molecular formula C7H12BrN and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromoheptanenitrile
Also Known As: 7-Bromoheptanenitrile, 7-Bromoheptanonitrile, Heptanenitrile, 7-bromo-, 6-Cyanohexyl bromide, 1-bromo-6-cyanohexane
| Molecular Formula | C7H12BrN |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.0153 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 20965-27-9 |
|---|---|
| SMILES | C(CCCBr)CCC#N |
| InChIKey | HVVQSKCGHAPHMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptanenitrile, 7-bromo- (CAS 20965-27-9), with molecular formula C7H12BrN and molecular weight 189.02 g/mol. IUPAC: 7-bromoheptanenitrile.
Chemical Property Profile of Heptanenitrile, 7-bromo-
Property Insights of Heptanenitrile, 7-bromo-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanenitrile, 7-bromo-. With a topological polar surface area (TPSA) of 23.8 Ų, Heptanenitrile, 7-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanenitrile, 7-bromo- 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 Heptanenitrile, 7-bromo-?
The CAS number of Heptanenitrile, 7-bromo- is 20965-27-9.
What is the molecular formula of Heptanenitrile, 7-bromo-?
The molecular formula of Heptanenitrile, 7-bromo- is C7H12BrN.
What is the molecular weight of Heptanenitrile, 7-bromo-?
The molecular weight of Heptanenitrile, 7-bromo- is 189.02 g/mol.
Where can I buy Heptanenitrile, 7-bromo-?
You can request a quote for Heptanenitrile, 7-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanenitrile, 7-bromo-?
Yes, KEHONG BIO provides custom synthesis services for Heptanenitrile, 7-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.