2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol
TL;DR: 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol (CAS 100543-12-2) is a chemical compound with molecular formula C12H27NO3 and molecular weight 233.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-(octylamino)propane-1,3-diol
Also Known As: 2-(hydroxymethyl)-2-(octylamino)propane-1,3-diol, 1,3-Propanediol, 2-(hydroxymethyl)-2-(octylamino)-, 2-Hydroxymethyl-2-octylamino-propane-1,3-diol, RefChem:254139
| Molecular Formula | C12H27NO3 |
|---|---|
| Molecular Weight | 233.20 g/mol |
| LogP | 0.6522 |
| Topological Polar Surface Area | 72.72 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 233.1991 |
| Heavy Atoms | 16 |
| Complexity | 140.93463 |
Chemical Identifiers
| CAS Number | 100543-12-2 |
|---|---|
| SMILES | CCCCCCCCNC(CO)(CO)CO |
Product Overview
2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol (CAS 100543-12-2), with molecular formula C12H27NO3 and molecular weight 233.20 g/mol. IUPAC: 2-(hydroxymethyl)-2-(octylamino)propane-1,3-diol.
Chemical Property Profile of 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol
Property Insights of 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol
The XLogP value of 0.6522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol. The TPSA of 72.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-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-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol?
The CAS number of 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol is 100543-12-2.
What is the molecular formula of 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol?
The molecular formula of 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol is C12H27NO3.
What is the molecular weight of 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol?
The molecular weight of 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol is 233.20 g/mol.
Where can I buy 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol?
You can request a quote for 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.