Butadiyne-d2
TL;DR: Butadiyne-d2 (CAS 16954-96-4) is a chemical compound with molecular formula C4H2 and molecular weight 52.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dideuteriobuta-1,3-diyne
Also Known As: Butadiyne-d2, Polydiacetylene, Diacetylene-d2, dideuterodiacetylene, 1,4-dideuteriobuta-1,3-diyne
| Molecular Formula | C4H2 |
|---|---|
| Molecular Weight | 52.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 52.028202 |
| Heavy Atoms | 4 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 16954-96-4 |
|---|---|
| SMILES | [2H]C#CC#C[2H] |
| InChIKey | LLCSWKVOHICRDD-QDNHWIQGSA-N |
Product Overview
Butadiyne-d2 (CAS 16954-96-4), with molecular formula C4H2 and molecular weight 52.03 g/mol. IUPAC: 1,4-dideuteriobuta-1,3-diyne.
Chemical Property Profile of Butadiyne-d2
Property Insights of Butadiyne-d2
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butadiyne-d2. With a topological polar surface area (TPSA) of 0.0 Ų, Butadiyne-d2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butadiyne-d2 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 Butadiyne-d2?
The CAS number of Butadiyne-d2 is 16954-96-4.
What is the molecular formula of Butadiyne-d2?
The molecular formula of Butadiyne-d2 is C4H2.
What is the molecular weight of Butadiyne-d2?
The molecular weight of Butadiyne-d2 is 52.03 g/mol.
Where can I buy Butadiyne-d2?
You can request a quote for Butadiyne-d2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butadiyne-d2?
Yes, KEHONG BIO provides custom synthesis services for Butadiyne-d2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.