(S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate
TL;DR: (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate (CAS 97413-79-1) is a chemical compound with molecular formula C12H19NO6S and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl] hydrogen sulfate
Also Known As: (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate, 1-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]-4-sulfooxy-benzene, [4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl] hydrogen sulfate
| Molecular Formula | C12H19NO6S |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 305.09332 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 97413-79-1 |
|---|---|
| SMILES | CC(C)NC[C@@H](COC1=CC=C(C=C1)OS(=O)(=O)O)O |
| InChIKey | NYJMEZFWMQVWFI-JTQLQIEISA-N |
Product Overview
(S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate (CAS 97413-79-1), with molecular formula C12H19NO6S and molecular weight 305.09 g/mol. IUPAC: [4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl] hydrogen sulfate.
Chemical Property Profile of (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate
Property Insights of (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate
The XLogP value of -1.5 indicates that (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate. Following Lipinski's Rule of Five, (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate has 3 hydrogen bond donor(s) and 7 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 (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate?
The CAS number of (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate is 97413-79-1.
What is the molecular formula of (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate?
The molecular formula of (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate is C12H19NO6S.
What is the molecular weight of (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate?
The molecular weight of (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate is 305.09 g/mol.
Where can I buy (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate?
You can request a quote for (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.