2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol
TL;DR: 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol (CAS 16343-97-8) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol
Also Known As: 2,7-bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol, 2,7-bis-hydroxymethyl-2,7-dimethyl-oct-4-yne-1,8-diol
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 16343-97-8 |
|---|---|
| SMILES | CC(CC#CCC(C)(CO)CO)(CO)CO |
| InChIKey | IDVWLWNWAWWYIM-UHFFFAOYSA-N |
Product Overview
2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol (CAS 16343-97-8), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: 2,7-bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol.
Chemical Property Profile of 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol
Property Insights of 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol
The XLogP value of -0.2 indicates that 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol. Following Lipinski's Rule of Five, 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol has 4 hydrogen bond donor(s) and 4 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 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol?
The CAS number of 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol is 16343-97-8.
What is the molecular formula of 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol?
The molecular formula of 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol is C12H22O4.
What is the molecular weight of 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol?
The molecular weight of 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol is 230.15 g/mol.
Where can I buy 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol?
You can request a quote for 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Bis(hydroxymethyl)-2,7-dimethyloct-4-yne-1,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.