2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol
TL;DR: 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol (CAS 39031-11-3) is a chemical compound with molecular formula C10H15NO4S and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
Also Known As: Thiamphenicol related compound A, 2-amino-1-1,3-propanediol, 2-Amino-1- -1,3-propanediol, 2-amino-1-(4-methylsulfonylphenyl)-1,3-propanediol, Thiamphenicol related compound A [USP-RS]
| Molecular Formula | C10H15NO4S |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.07217 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 39031-11-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)N)O |
| InChIKey | CIAZEFCFQFQJLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol (CAS 39031-11-3), with molecular formula C10H15NO4S and molecular weight 245.07 g/mol. IUPAC: 2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol.
Chemical Property Profile of 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol
Property Insights of 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol
The XLogP value of -1.2 indicates that 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol. Following Lipinski's Rule of Five, 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol has 3 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 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol?
The CAS number of 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol is 39031-11-3.
What is the molecular formula of 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol?
The molecular formula of 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol is C10H15NO4S.
What is the molecular weight of 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol?
The molecular weight of 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol is 245.07 g/mol.
Where can I buy 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol?
You can request a quote for 2-Amino-1-(4-(methylsulfonyl)phenyl)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-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.