2-丁炔腈-d3
TL;DR: 2-丁炔腈-d3 (CAS 93215-63-5) is a chemical compound with molecular formula C4H3N and molecular weight 68.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁炔腈-d3
4,4,4-trideuteriobut-2-ynenitrile
Also Known As: 2-Butynonitrile-d3, Cyanopropyne, (~2~H_3_)But-2-ynenitrile, 4,4,4-trideuteriobut-2-ynenitrile
| Molecular Formula | C4H3N |
|---|---|
| Molecular Weight | 68.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 68.04538 |
| Heavy Atoms | 5 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 93215-63-5 |
|---|---|
| SMILES | [2H]C([2H])([2H])C#CC#N |
| InChIKey | WNXDCVVDPKHWMW-FIBGUPNXSA-N |
Product Overview
2-丁炔腈-d3 (CAS 93215-63-5), with molecular formula C4H3N and molecular weight 68.05 g/mol. IUPAC: 4,4,4-trideuteriobut-2-ynenitrile.
Chemical Property Profile of 2-丁炔腈-d3
Property Insights of 2-丁炔腈-d3
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁炔腈-d3. With a topological polar surface area (TPSA) of 23.8 Ų, 2-丁炔腈-d3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁炔腈-d3 has 0 hydrogen bond donor(s) and 1 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 2-丁炔腈-d3?
The CAS number of 2-丁炔腈-d3 is 93215-63-5.
What is the molecular formula of 2-丁炔腈-d3?
The molecular formula of 2-丁炔腈-d3 is C4H3N.
What is the molecular weight of 2-丁炔腈-d3?
The molecular weight of 2-丁炔腈-d3 is 68.05 g/mol.
Where can I buy 2-丁炔腈-d3?
You can request a quote for 2-丁炔腈-d3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁炔腈-d3?
Yes, KEHONG BIO provides custom synthesis services for 2-丁炔腈-d3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.