Propyne-d4
TL;DR: Propyne-d4 (CAS 6111-63-3) is a chemical compound with molecular formula C3H4 and molecular weight 44.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3,3-tetradeuterioprop-1-yne
Also Known As: Propyne-d4, Methylacetylene-d4, Methylacetylene, d4-propyne, 1,3,3,3-tetradeuterioprop-1-yne
| Molecular Formula | C3H4 |
|---|---|
| Molecular Weight | 44.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 44.056408 |
| Heavy Atoms | 3 |
| Complexity | 26.0 |
Chemical Identifiers
| CAS Number | 6111-63-3 |
|---|---|
| SMILES | [2H]C#CC([2H])([2H])[2H] |
| InChIKey | MWWATHDPGQKSAR-BMQYTIHCSA-N |
Product Overview
Propyne-d4 (CAS 6111-63-3), with molecular formula C3H4 and molecular weight 44.06 g/mol. IUPAC: 1,3,3,3-tetradeuterioprop-1-yne.
Chemical Property Profile of Propyne-d4
Property Insights of Propyne-d4
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyne-d4. With a topological polar surface area (TPSA) of 0.0 Ų, Propyne-d4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyne-d4 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 Propyne-d4?
The CAS number of Propyne-d4 is 6111-63-3.
What is the molecular formula of Propyne-d4?
The molecular formula of Propyne-d4 is C3H4.
What is the molecular weight of Propyne-d4?
The molecular weight of Propyne-d4 is 44.06 g/mol.
Where can I buy Propyne-d4?
You can request a quote for Propyne-d4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyne-d4?
Yes, KEHONG BIO provides custom synthesis services for Propyne-d4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.