Propanol, 3-amino-1-trichloro-
TL;DR: Propanol, 3-amino-1-trichloro- (CAS 40452-14-0) is a chemical compound with molecular formula C3H6Cl3NO and molecular weight 176.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,1,1-trichloropropan-2-ol
Also Known As: TCA-PR, 3-amino-1,1,1-trichloropropan-2-ol, Propanol, 3-amino-1-trichloro-, 3-Amino-1-trichloro-2-propanol, 3,3,3-trichloro-1-amino-2-propanol
| Molecular Formula | C3H6Cl3NO |
|---|---|
| Molecular Weight | 176.95 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.95149 |
| Heavy Atoms | 8 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 40452-14-0 |
|---|---|
| SMILES | C(C(C(Cl)(Cl)Cl)O)N |
| InChIKey | PUFKULWKRHGOIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanol, 3-amino-1-trichloro- (CAS 40452-14-0), with molecular formula C3H6Cl3NO and molecular weight 176.95 g/mol. IUPAC: 3-amino-1,1,1-trichloropropan-2-ol.
Chemical Property Profile of Propanol, 3-amino-1-trichloro-
Property Insights of Propanol, 3-amino-1-trichloro-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanol, 3-amino-1-trichloro-. With a topological polar surface area (TPSA) of 46.3 Ų, Propanol, 3-amino-1-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanol, 3-amino-1-trichloro- 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
Frequently Asked Questions
What is the CAS number of Propanol, 3-amino-1-trichloro-?
The CAS number of Propanol, 3-amino-1-trichloro- is 40452-14-0.
What is the molecular formula of Propanol, 3-amino-1-trichloro-?
The molecular formula of Propanol, 3-amino-1-trichloro- is C3H6Cl3NO.
What is the molecular weight of Propanol, 3-amino-1-trichloro-?
The molecular weight of Propanol, 3-amino-1-trichloro- is 176.95 g/mol.
Where can I buy Propanol, 3-amino-1-trichloro-?
You can request a quote for Propanol, 3-amino-1-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanol, 3-amino-1-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Propanol, 3-amino-1-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.