1,3,3-Butatriene-1,1,4,4-d4
TL;DR: 1,3,3-Butatriene-1,1,4,4-d4 (CAS 25294-38-6) is a chemical compound with molecular formula C4H4 and molecular weight 56.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,4,4-tetradeuteriobuta-1,2,3-triene
Also Known As: (~2~H_4_)Butatriene, 1,3,3-Butatriene-1,1,4,4-d4, CH2=C=C=CH2, 1,1,4,4-tetradeuteriobuta-1,2,3-triene
| Molecular Formula | C4H4 |
|---|---|
| Molecular Weight | 56.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 56.056408 |
| Heavy Atoms | 4 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 25294-38-6 |
|---|---|
| SMILES | [2H]C(=C=C=C([2H])[2H])[2H] |
| InChIKey | WHVXVDDUYCELKP-LNLMKGTHSA-N |
Product Overview
1,3,3-Butatriene-1,1,4,4-d4 (CAS 25294-38-6), with molecular formula C4H4 and molecular weight 56.06 g/mol. IUPAC: 1,1,4,4-tetradeuteriobuta-1,2,3-triene.
Chemical Property Profile of 1,3,3-Butatriene-1,1,4,4-d4
Property Insights of 1,3,3-Butatriene-1,1,4,4-d4
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3-Butatriene-1,1,4,4-d4. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,3-Butatriene-1,1,4,4-d4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Butatriene-1,1,4,4-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 1,3,3-Butatriene-1,1,4,4-d4?
The CAS number of 1,3,3-Butatriene-1,1,4,4-d4 is 25294-38-6.
What is the molecular formula of 1,3,3-Butatriene-1,1,4,4-d4?
The molecular formula of 1,3,3-Butatriene-1,1,4,4-d4 is C4H4.
What is the molecular weight of 1,3,3-Butatriene-1,1,4,4-d4?
The molecular weight of 1,3,3-Butatriene-1,1,4,4-d4 is 56.06 g/mol.
Where can I buy 1,3,3-Butatriene-1,1,4,4-d4?
You can request a quote for 1,3,3-Butatriene-1,1,4,4-d4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Butatriene-1,1,4,4-d4?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Butatriene-1,1,4,4-d4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.