(1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol
TL;DR: (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol (CAS 18867-44-2) is a chemical compound with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S)-2-(dimethylamino)-1-(4-nitrophenyl)propane-1,3-diol
Also Known As: (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol, (1S,2S)-2-(dimethylamino)-1-(4-nitrophenyl)propane-1,3-diol, L-(+)-THREO-2-(N,N-DIMETHYLAMINO)-1-(4-NITROPHENYL)-1,3-PROPANEDIOL, 2-dimethylamino-1-(4-nitrophenyl)propane-1,3-diol, I14-38518
| Molecular Formula | C11H16N2O4 |
|---|---|
| Molecular Weight | 240.11 g/mol |
| LogP | 0.5507 |
| Topological Polar Surface Area | 86.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.11101 |
| Heavy Atoms | 17 |
| Complexity | 377.56274 |
Chemical Identifiers
| CAS Number | 18867-44-2 |
|---|---|
| SMILES | CN(C)[C@@H](CO)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O |
Product Overview
(1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol (CAS 18867-44-2), with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol. IUPAC: (1S,2S)-2-(dimethylamino)-1-(4-nitrophenyl)propane-1,3-diol.
Chemical Property Profile of (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol
Property Insights of (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol
The XLogP value of 0.5507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol. The TPSA of 86.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol. Following Lipinski's Rule of Five, (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol has 2 hydrogen bond donor(s) and 5 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 (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol?
The CAS number of (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol is 18867-44-2.
What is the molecular formula of (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol?
The molecular formula of (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol is C11H16N2O4.
What is the molecular weight of (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol?
The molecular weight of (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol is 240.11 g/mol.
Where can I buy (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol?
You can request a quote for (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-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 (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S)-2-(Dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.