1,3-Butadiyne, 1-bromo-
TL;DR: 1,3-Butadiyne, 1-bromo- (CAS 6088-90-0) is a chemical compound with molecular formula C4HBr and molecular weight 127.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromobuta-1,3-diyne
Also Known As: bromodiacetylene, 1,3-Butadiyne, 1-bromo-, 1-bromodiacetylene, 1-bromobuta-1,3-diyne, 1-Bromo-1,3-butadiyne
| Molecular Formula | C4HBr |
|---|---|
| Molecular Weight | 127.93 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.92616 |
| Heavy Atoms | 5 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 6088-90-0 |
|---|---|
| SMILES | C#CC#CBr |
| InChIKey | YTIPSWQGFYSLMS-UHFFFAOYSA-N |
Product Overview
1,3-Butadiyne, 1-bromo- (CAS 6088-90-0), with molecular formula C4HBr and molecular weight 127.93 g/mol. IUPAC: 1-bromobuta-1,3-diyne.
Chemical Property Profile of 1,3-Butadiyne, 1-bromo-
Property Insights of 1,3-Butadiyne, 1-bromo-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butadiyne, 1-bromo-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiyne, 1-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiyne, 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 1,3-Butadiyne, 1-bromo-?
The CAS number of 1,3-Butadiyne, 1-bromo- is 6088-90-0.
What is the molecular formula of 1,3-Butadiyne, 1-bromo-?
The molecular formula of 1,3-Butadiyne, 1-bromo- is C4HBr.
What is the molecular weight of 1,3-Butadiyne, 1-bromo-?
The molecular weight of 1,3-Butadiyne, 1-bromo- is 127.93 g/mol.
Where can I buy 1,3-Butadiyne, 1-bromo-?
You can request a quote for 1,3-Butadiyne, 1-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadiyne, 1-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadiyne, 1-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.