Ethane-1,1,1-d3
TL;DR: Ethane-1,1,1-d3 (CAS 2031-95-0) is a chemical compound with molecular formula [2H]C([2H])([2H])C and molecular weight 33.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trideuterioethane
Also Known As: Ethane-1,1,1-d3, Bimethyl, 1,1,1-trideuterioethane, (~2~H_3_)Ethane, (1,1,1-2H3)Ethane
| Molecular Formula | [2H]C([2H])([2H])C |
|---|---|
| Molecular Weight | 33.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 33.06578 |
| Heavy Atoms | 2 |
| Complexity | 0.0 |
Chemical Identifiers
| CAS Number | 2031-95-0 |
|---|---|
| SMILES | [2H]C([2H])([2H])C |
| InChIKey | OTMSDBZUPAUEDD-FIBGUPNXSA-N |
Product Overview
Ethane-1,1,1-d3 (CAS 2031-95-0), with molecular formula [2H]C([2H])([2H])C and molecular weight 33.07 g/mol. IUPAC: 1,1,1-trideuterioethane.
Chemical Property Profile of Ethane-1,1,1-d3
Property Insights of Ethane-1,1,1-d3
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane-1,1,1-d3. With a topological polar surface area (TPSA) of 0.0 Ų, Ethane-1,1,1-d3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethane-1,1,1-d3 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 Ethane-1,1,1-d3?
The CAS number of Ethane-1,1,1-d3 is 2031-95-0.
What is the molecular formula of Ethane-1,1,1-d3?
The molecular formula of Ethane-1,1,1-d3 is [2H]C([2H])([2H])C.
What is the molecular weight of Ethane-1,1,1-d3?
The molecular weight of Ethane-1,1,1-d3 is 33.07 g/mol.
Where can I buy Ethane-1,1,1-d3?
You can request a quote for Ethane-1,1,1-d3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethane-1,1,1-d3?
Yes, KEHONG BIO provides custom synthesis services for Ethane-1,1,1-d3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.