7-Bromo-2,2-dimethylhept-3-yne
TL;DR: 7-Bromo-2,2-dimethylhept-3-yne (CAS 55402-09-0) is a chemical compound with molecular formula C9H15Br and molecular weight 202.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-2,2-dimethylhept-3-yne
Also Known As: 7-Bromo-2,2-dimethyl-3-heptyne, 7-bromo-2,2-dimethylhept-3-yne, 3-Heptyne, 7-bromo-2,2-dimethyl-, 7-Bromo-2,2-dimethyl-3-heptyne #, 968-339-5
| Molecular Formula | C9H15Br |
|---|---|
| Molecular Weight | 202.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.0357 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 55402-09-0 |
|---|---|
| SMILES | CC(C)(C)C#CCCCBr |
| InChIKey | KWKDEPXNTASMDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Bromo-2,2-dimethylhept-3-yne (CAS 55402-09-0), with molecular formula C9H15Br and molecular weight 202.04 g/mol. IUPAC: 7-bromo-2,2-dimethylhept-3-yne.
Chemical Property Profile of 7-Bromo-2,2-dimethylhept-3-yne
Property Insights of 7-Bromo-2,2-dimethylhept-3-yne
The XLogP value of 3.7 indicates that 7-Bromo-2,2-dimethylhept-3-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Bromo-2,2-dimethylhept-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-2,2-dimethylhept-3-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 7-Bromo-2,2-dimethylhept-3-yne?
The CAS number of 7-Bromo-2,2-dimethylhept-3-yne is 55402-09-0.
What is the molecular formula of 7-Bromo-2,2-dimethylhept-3-yne?
The molecular formula of 7-Bromo-2,2-dimethylhept-3-yne is C9H15Br.
What is the molecular weight of 7-Bromo-2,2-dimethylhept-3-yne?
The molecular weight of 7-Bromo-2,2-dimethylhept-3-yne is 202.04 g/mol.
Where can I buy 7-Bromo-2,2-dimethylhept-3-yne?
You can request a quote for 7-Bromo-2,2-dimethylhept-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-2,2-dimethylhept-3-yne?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-2,2-dimethylhept-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.