6-Bromohex-1-yne
TL;DR: 6-Bromohex-1-yne (CAS 66977-99-9) is a chemical compound with molecular formula C6H9Br and molecular weight 159.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromohex-1-yne
Also Known As: 6-bromohex-1-yne, 6-Bromo-1-hexyne, 1-Hexyne, 6-bromo-, 1-Hexyne,6-bromo-, 5-Hexyne, 1-bromo-
| Molecular Formula | C6H9Br |
|---|---|
| Molecular Weight | 159.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.98875 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 66977-99-9 |
|---|---|
| SMILES | C#CCCCCBr |
| InChIKey | WDNFOERVYIUQPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromohex-1-yne (CAS 66977-99-9), with molecular formula C6H9Br and molecular weight 159.99 g/mol. IUPAC: 6-bromohex-1-yne.
Chemical Property Profile of 6-Bromohex-1-yne
Property Insights of 6-Bromohex-1-yne
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromohex-1-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 6-Bromohex-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromohex-1-yne has 0 hydrogen bond donor(s) and 0 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 6-Bromohex-1-yne?
The CAS number of 6-Bromohex-1-yne is 66977-99-9.
What is the molecular formula of 6-Bromohex-1-yne?
The molecular formula of 6-Bromohex-1-yne is C6H9Br.
What is the molecular weight of 6-Bromohex-1-yne?
The molecular weight of 6-Bromohex-1-yne is 159.99 g/mol.
Where can I buy 6-Bromohex-1-yne?
You can request a quote for 6-Bromohex-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromohex-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromohex-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.