1,5-Hexadiyne-1,6-d2
TL;DR: 1,5-Hexadiyne-1,6-d2 (CAS 73385-31-6) is a chemical compound with molecular formula C6H6 and molecular weight 80.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dideuteriohexa-1,5-diyne
Also Known As: 1,5-Hexadiyne-1,6-d2, 1,6-dideuteriohexa-1,5-diyne, 2-Ethyl-4-methylimidazole, 1,5-Hexadiyne-1,6-d2(9CI), (1,6-~2~H_2_)Hexa-1,5-diyne
| Molecular Formula | C6H6 |
|---|---|
| Molecular Weight | 80.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 80.0595 |
| Heavy Atoms | 6 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 73385-31-6 |
|---|---|
| SMILES | [2H]C#CCCC#C[2H] |
| InChIKey | YFIBSNDOVCWPBL-QDNHWIQGSA-N |
Product Overview
1,5-Hexadiyne-1,6-d2 (CAS 73385-31-6), with molecular formula C6H6 and molecular weight 80.06 g/mol. IUPAC: 1,6-dideuteriohexa-1,5-diyne.
Chemical Property Profile of 1,5-Hexadiyne-1,6-d2
Property Insights of 1,5-Hexadiyne-1,6-d2
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Hexadiyne-1,6-d2. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5-Hexadiyne-1,6-d2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Hexadiyne-1,6-d2 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 1,5-Hexadiyne-1,6-d2?
The CAS number of 1,5-Hexadiyne-1,6-d2 is 73385-31-6.
What is the molecular formula of 1,5-Hexadiyne-1,6-d2?
The molecular formula of 1,5-Hexadiyne-1,6-d2 is C6H6.
What is the molecular weight of 1,5-Hexadiyne-1,6-d2?
The molecular weight of 1,5-Hexadiyne-1,6-d2 is 80.06 g/mol.
Where can I buy 1,5-Hexadiyne-1,6-d2?
You can request a quote for 1,5-Hexadiyne-1,6-d2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Hexadiyne-1,6-d2?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Hexadiyne-1,6-d2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.