3,3,3-Trichloro-1,2-propanediol
TL;DR: 3,3,3-Trichloro-1,2-propanediol (CAS 815-02-1) is a chemical compound with molecular formula C3H5Cl3O2 and molecular weight 177.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trichloropropane-1,2-diol
Also Known As: 3,3,3-Trichloro-1,2-propanediol, 3,3,3-trichloropropane-1,2-diol, 1,2-Propanediol, 3,3,3-trichloro-
| Molecular Formula | C3H5Cl3O2 |
|---|---|
| Molecular Weight | 177.94 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.93552 |
| Heavy Atoms | 8 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 815-02-1 |
|---|---|
| SMILES | C(C(C(Cl)(Cl)Cl)O)O |
| InChIKey | WUBHHCRECMGUJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3-Trichloro-1,2-propanediol (CAS 815-02-1), with molecular formula C3H5Cl3O2 and molecular weight 177.94 g/mol. IUPAC: 3,3,3-trichloropropane-1,2-diol.
Chemical Property Profile of 3,3,3-Trichloro-1,2-propanediol
Property Insights of 3,3,3-Trichloro-1,2-propanediol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,3-Trichloro-1,2-propanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,3,3-Trichloro-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trichloro-1,2-propanediol 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 3,3,3-Trichloro-1,2-propanediol?
The CAS number of 3,3,3-Trichloro-1,2-propanediol is 815-02-1.
What is the molecular formula of 3,3,3-Trichloro-1,2-propanediol?
The molecular formula of 3,3,3-Trichloro-1,2-propanediol is C3H5Cl3O2.
What is the molecular weight of 3,3,3-Trichloro-1,2-propanediol?
The molecular weight of 3,3,3-Trichloro-1,2-propanediol is 177.94 g/mol.
Where can I buy 3,3,3-Trichloro-1,2-propanediol?
You can request a quote for 3,3,3-Trichloro-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Trichloro-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trichloro-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.