(s)-3-(3-Chlorophenyl)-beta-alaninol
TL;DR: (s)-3-(3-Chlorophenyl)-beta-alaninol (CAS 1212999-20-6) is a chemical compound with molecular formula C9H12ClNO and molecular weight 185.06075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
Also Known As: (s)-3-(3-chlorophenyl)-beta-alaninol, (s)-3-amino-3-(3-chlorophenyl)propan-1-ol, (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol, Bionet2_001489, (s)-beta-(3-chlorophenyl)alaninol
Technical Specifications
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.06075 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.06075 Da |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
| SMILES | C1=CC(=CC(=C1)Cl)[C@H](CCO)N |
| InChIKey | YQMOQQKIRFWPQL-VIFPVBQESA-N |
Chemical Property Profile of (s)-3-(3-Chlorophenyl)-beta-alaninol
Property Insights of (s)-3-(3-Chlorophenyl)-beta-alaninol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (s)-3-(3-Chlorophenyl)-beta-alaninol. With a topological polar surface area (TPSA) of 46.3 Ų, (s)-3-(3-Chlorophenyl)-beta-alaninol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (s)-3-(3-Chlorophenyl)-beta-alaninol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (s)-3-(3-Chlorophenyl)-beta-alaninol?
The CAS number of (s)-3-(3-Chlorophenyl)-beta-alaninol is 1212999-20-6.
What is the molecular formula of (s)-3-(3-Chlorophenyl)-beta-alaninol?
The molecular formula of (s)-3-(3-Chlorophenyl)-beta-alaninol is C9H12ClNO.
What is the molecular weight of (s)-3-(3-Chlorophenyl)-beta-alaninol?
The molecular weight of (s)-3-(3-Chlorophenyl)-beta-alaninol is 185.06075 g/mol.
Where can I buy (s)-3-(3-Chlorophenyl)-beta-alaninol?
You can request a quote for (s)-3-(3-Chlorophenyl)-beta-alaninol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (s)-3-(3-Chlorophenyl)-beta-alaninol?
Yes, CoreyChem provides custom synthesis services for (s)-3-(3-Chlorophenyl)-beta-alaninol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.