![1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol structure](/static/products/5203/52031-05-7.webp)
1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol
TL;DR: 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol (CAS 52031-05-7) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropylamino)-3-phenoxypropan-2-ol
Also Known As: 1-[(2-methylpropyl)amino]-3-phenoxypropan-2-ol, KST-1B4764, 1-(2-methylpropylamino)-3-phenoxypropan-2-ol, 3-(o-methoxyphenyl)-5-mercapto-4H-1,2,4-triazole
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 52031-05-7 |
|---|---|
| SMILES | CC(C)CNCC(COC1=CC=CC=C1)O |
| InChIKey | ZCSOJUBZNQXUFB-UHFFFAOYSA-N |
Product Overview
1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol (CAS 52031-05-7), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: 1-(2-methylpropylamino)-3-phenoxypropan-2-ol.
Chemical Property Profile of 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol
Property Insights of 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol. With a topological polar surface area (TPSA) of 41.5 Ų, 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol has 2 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 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol?
The CAS number of 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol is 52031-05-7.
What is the molecular formula of 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol?
The molecular formula of 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol is C13H21NO2.
What is the molecular weight of 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol?
The molecular weight of 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol is 223.16 g/mol.
Where can I buy 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol?
You can request a quote for 1-[(2-Methylpropyl)amino]-3-phenoxypropan-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-Methylpropyl)amino]-3-phenoxypropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.