![rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol structure](/static/products/2734/27348-36-3.webp)
rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol
TL;DR: rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol (CAS 27348-36-3) is a chemical compound with molecular formula C10H15NO2S and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R)-2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol
Also Known As: EINECS 245-460-5, rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol, (1S,2R)-2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol, (1S,2R)-2-Amino-1-[4-(methylsulfanyl)phenyl]propane-1,3-diol
| Molecular Formula | C10H15NO2S |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.08235 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 27348-36-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)[C@@H]([C@@H](CO)N)O |
| InChIKey | IULJJGJXIGQINK-ZJUUUORDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol (CAS 27348-36-3), with molecular formula C10H15NO2S and molecular weight 213.08 g/mol. IUPAC: (1S,2R)-2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol.
Chemical Property Profile of rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol
Property Insights of rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol. Following Lipinski's Rule of Five, rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol has 3 hydrogen bond donor(s) and 4 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 rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol?
The CAS number of rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol is 27348-36-3.
What is the molecular formula of rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol?
The molecular formula of rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol is C10H15NO2S.
What is the molecular weight of rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol?
The molecular weight of rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol is 213.08 g/mol.
Where can I buy rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol?
You can request a quote for rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-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 rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.