1-Propyne, 1-bromo-
TL;DR: 1-Propyne, 1-bromo- (CAS 2003-82-9) is a chemical compound with molecular formula CC#CBr and molecular weight 117.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromoprop-1-yne
Also Known As: Propyne, 1-bromo-, 1-bromoprop-1-yne, 1-bromopropyne, Propynylbromide, bromo-propyne
| Molecular Formula | CC#CBr |
|---|---|
| Molecular Weight | 117.94 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.94181 |
| Heavy Atoms | 4 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 2003-82-9 |
|---|---|
| SMILES | CC#CBr |
| InChIKey | XXFUZSHTIOFGNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propyne, 1-bromo- (CAS 2003-82-9), with molecular formula CC#CBr and molecular weight 117.94 g/mol. IUPAC: 1-bromoprop-1-yne.
Chemical Property Profile of 1-Propyne, 1-bromo-
Property Insights of 1-Propyne, 1-bromo-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propyne, 1-bromo-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Propyne, 1-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propyne, 1-bromo- 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 1-Propyne, 1-bromo-?
The CAS number of 1-Propyne, 1-bromo- is 2003-82-9.
What is the molecular formula of 1-Propyne, 1-bromo-?
The molecular formula of 1-Propyne, 1-bromo- is CC#CBr.
What is the molecular weight of 1-Propyne, 1-bromo-?
The molecular weight of 1-Propyne, 1-bromo- is 117.94 g/mol.
Where can I buy 1-Propyne, 1-bromo-?
You can request a quote for 1-Propyne, 1-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propyne, 1-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propyne, 1-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.