3-Hexyne, 1,6-dibromo-
TL;DR: 3-Hexyne, 1,6-dibromo- (CAS 61233-70-3) is a chemical compound with molecular formula C6H8Br2 and molecular weight 237.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dibromohex-3-yne
Also Known As: 1,6-dibromohex-3-yne, 3-Hexyne, 1,6-dibromo-, 1,6-Dibromo-3-hexyne, 3-Hexyne,1,6-dibromo, 1,6-Dibromo-3-hexyne #
| Molecular Formula | C6H8Br2 |
|---|---|
| Molecular Weight | 237.90 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.89928 |
| Heavy Atoms | 8 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 61233-70-3 |
|---|---|
| SMILES | C(CBr)C#CCCBr |
| InChIKey | GVVHGLBWJFRVBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexyne, 1,6-dibromo- (CAS 61233-70-3), with molecular formula C6H8Br2 and molecular weight 237.90 g/mol. IUPAC: 1,6-dibromohex-3-yne.
Chemical Property Profile of 3-Hexyne, 1,6-dibromo-
Property Insights of 3-Hexyne, 1,6-dibromo-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexyne, 1,6-dibromo-. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Hexyne, 1,6-dibromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexyne, 1,6-dibromo- 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 3-Hexyne, 1,6-dibromo-?
The CAS number of 3-Hexyne, 1,6-dibromo- is 61233-70-3.
What is the molecular formula of 3-Hexyne, 1,6-dibromo-?
The molecular formula of 3-Hexyne, 1,6-dibromo- is C6H8Br2.
What is the molecular weight of 3-Hexyne, 1,6-dibromo-?
The molecular weight of 3-Hexyne, 1,6-dibromo- is 237.90 g/mol.
Where can I buy 3-Hexyne, 1,6-dibromo-?
You can request a quote for 3-Hexyne, 1,6-dibromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexyne, 1,6-dibromo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexyne, 1,6-dibromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.