1,3-Butadiene-d6
TL;DR: 1,3-Butadiene-d6 (CAS 1441-56-1) is a chemical compound with molecular formula C4H6 and molecular weight 54.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,3,4,4-hexaprotiobuta-1,3-diene
Also Known As: Vinylethylene, 1,3-Butadiene-d6, 1,1,2,3,4,4-hexaprotiobuta-1,3-diene, 1,3-Butadiene, hexadeutero-, trans-, 686-070-9
| Molecular Formula | C4H6 |
|---|---|
| Molecular Weight | 54.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 54.04695 |
| Heavy Atoms | 4 |
| Complexity | 21.0 |
Chemical Identifiers
| CAS Number | 1441-56-1 |
|---|---|
| SMILES | [1H]C(=C([1H])C(=C([1H])[1H])[1H])[1H] |
| InChIKey | KAKZBPTYRLMSJV-JIXMDAJQSA-N |
Product Overview
1,3-Butadiene-d6 (CAS 1441-56-1), with molecular formula C4H6 and molecular weight 54.05 g/mol. IUPAC: 1,1,2,3,4,4-hexaprotiobuta-1,3-diene.
Chemical Property Profile of 1,3-Butadiene-d6
Property Insights of 1,3-Butadiene-d6
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butadiene-d6. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiene-d6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiene-d6 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-Butadiene-d6?
The CAS number of 1,3-Butadiene-d6 is 1441-56-1.
What is the molecular formula of 1,3-Butadiene-d6?
The molecular formula of 1,3-Butadiene-d6 is C4H6.
What is the molecular weight of 1,3-Butadiene-d6?
The molecular weight of 1,3-Butadiene-d6 is 54.05 g/mol.
Where can I buy 1,3-Butadiene-d6?
You can request a quote for 1,3-Butadiene-d6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadiene-d6?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadiene-d6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.