1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol
TL;DR: 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol (CAS 36805-13-7) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol
Also Known As: 1- -3- -2-propanol, 1-(2-methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol, 1-(2-Methyl-3-nitrophenoxy)-3-(isopropylamino)-2-propanol, 1-(2-methyl-3-nitro-phenoxy)-3-(propan-2-ylamino)propan-2-ol, 1-(2-methyl-3-nitrophenoxy)-3-[(propan-2-yl)amino]propan-2-ol
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 36805-13-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1OCC(CNC(C)C)O)[N+](=O)[O-] |
| InChIKey | FVYIXLPBGAQACB-UHFFFAOYSA-N |
Product Overview
1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol (CAS 36805-13-7), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: 1-(2-methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol.
Chemical Property Profile of 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol
Property Insights of 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol. Following Lipinski's Rule of Five, 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol 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 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The CAS number of 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol is 36805-13-7.
What is the molecular formula of 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The molecular formula of 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol is C13H20N2O4.
What is the molecular weight of 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The molecular weight of 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol is 268.14 g/mol.
Where can I buy 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol?
You can request a quote for 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.