(S)-1,1,1-Trichloro-2-propanol
TL;DR: (S)-1,1,1-Trichloro-2-propanol (CAS 948828-05-5) is a chemical compound with molecular formula C3H5Cl3O and molecular weight 161.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1,1,1-trichloropropan-2-ol
Also Known As: Isopral, (S)-1,1,1-Trichloro-2-propanol, 1,1,1-Trichloro-2-propanol, (S)-, 1,1,1-Trichloro-2-propanol, (-)-, 2-Propanol, 1,1,1-trichloro-, (2S)-
| Molecular Formula | C3H5Cl3O |
|---|---|
| Molecular Weight | 161.94 g/mol |
| LogP | 1.7374 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.9406 |
| Heavy Atoms | 7 |
| Complexity | 55.690586 |
Chemical Identifiers
| CAS Number | 948828-05-5 |
|---|---|
| SMILES | C[C@@H](C(Cl)(Cl)Cl)O |
Product Overview
(S)-1,1,1-Trichloro-2-propanol (CAS 948828-05-5), with molecular formula C3H5Cl3O and molecular weight 161.94 g/mol. IUPAC: (2S)-1,1,1-trichloropropan-2-ol.
Chemical Property Profile of (S)-1,1,1-Trichloro-2-propanol
Property Insights of (S)-1,1,1-Trichloro-2-propanol
The XLogP value of 1.7374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1,1,1-Trichloro-2-propanol. With a topological polar surface area (TPSA) of 20.23 Ų, (S)-1,1,1-Trichloro-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-1,1,1-Trichloro-2-propanol has 1 hydrogen bond donor(s) and 1 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)-1,1,1-Trichloro-2-propanol?
The CAS number of (S)-1,1,1-Trichloro-2-propanol is 948828-05-5.
What is the molecular formula of (S)-1,1,1-Trichloro-2-propanol?
The molecular formula of (S)-1,1,1-Trichloro-2-propanol is C3H5Cl3O.
What is the molecular weight of (S)-1,1,1-Trichloro-2-propanol?
The molecular weight of (S)-1,1,1-Trichloro-2-propanol is 161.94 g/mol.
Where can I buy (S)-1,1,1-Trichloro-2-propanol?
You can request a quote for (S)-1,1,1-Trichloro-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1,1,1-Trichloro-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for (S)-1,1,1-Trichloro-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.