1-氘乙醛
TL;DR: 1-氘乙醛 (CAS 4122-13-8) is a chemical compound with molecular formula C2H4O and molecular weight 45.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氘乙醛
1-deuterioethanone
Also Known As: 1-deuterioethanone, (1-2H1)Acetaldehyde, ethanal, Acetaldehyde-1-d, Acet(aldehyde-d)
| Molecular Formula | C2H4O |
|---|---|
| Molecular Weight | 45.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 45.03249 |
| Heavy Atoms | 3 |
| Complexity | 10.0 |
Chemical Identifiers
| CAS Number | 4122-13-8 |
|---|---|
| SMILES | [2H]C(=O)C |
| InChIKey | IKHGUXGNUITLKF-VMNATFBRSA-N |
Product Overview
1-氘乙醛 (CAS 4122-13-8), with molecular formula C2H4O and molecular weight 45.03 g/mol. IUPAC: 1-deuterioethanone.
Chemical Property Profile of 1-氘乙醛
Property Insights of 1-氘乙醛
The XLogP value of -0.3 indicates that 1-氘乙醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, 1-氘乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氘乙醛 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 1-氘乙醛?
The CAS number of 1-氘乙醛 is 4122-13-8.
What is the molecular formula of 1-氘乙醛?
The molecular formula of 1-氘乙醛 is C2H4O.
What is the molecular weight of 1-氘乙醛?
The molecular weight of 1-氘乙醛 is 45.03 g/mol.
Where can I buy 1-氘乙醛?
You can request a quote for 1-氘乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氘乙醛?
Yes, KEHONG BIO provides custom synthesis services for 1-氘乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.