2-Hexyl-2-(hydroxymethyl)-1,3-propanediol
TL;DR: 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol (CAS 4780-31-8) is a chemical compound with molecular formula C10H22O3 and molecular weight 190.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexyl-2-(hydroxymethyl)propane-1,3-diol
Also Known As: 2-hexyl-2-(hydroxymethyl)propane-1,3-diol, 2-hexyl-2-(hydroxymethyl)-1,3-propanediol, 2,2-Bis(hydroxymethyl)-1-octanol, 2-Hydroxymethyl-2-hexyl-1,3-propanediol, RefChem:261454
| Molecular Formula | C10H22O3 |
|---|---|
| Molecular Weight | 190.16 g/mol |
| LogP | 0.9201 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 190.15689 |
| Heavy Atoms | 13 |
| Complexity | 102.472824 |
Chemical Identifiers
| CAS Number | 4780-31-8 |
|---|---|
| SMILES | CCCCCCC(CO)(CO)CO |
Product Overview
2-Hexyl-2-(hydroxymethyl)-1,3-propanediol (CAS 4780-31-8), with molecular formula C10H22O3 and molecular weight 190.16 g/mol. IUPAC: 2-hexyl-2-(hydroxymethyl)propane-1,3-diol.
Chemical Property Profile of 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol
Property Insights of 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol
The XLogP value of 0.9201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol. Following Lipinski's Rule of Five, 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol has 3 hydrogen bond donor(s) and 3 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-Hexyl-2-(hydroxymethyl)-1,3-propanediol?
The CAS number of 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol is 4780-31-8.
What is the molecular formula of 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol?
The molecular formula of 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol is C10H22O3.
What is the molecular weight of 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol?
The molecular weight of 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol is 190.16 g/mol.
Where can I buy 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol?
You can request a quote for 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.