1,3-Dichloropropanol (mixed isomers)
TL;DR: 1,3-Dichloropropanol (mixed isomers) (CAS 26545-73-3) is a chemical compound with molecular formula C3H6Cl2O and molecular weight 127.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-1-ol
Also Known As: Dichloropropanol, 1,3-dichloro-1-propanol, 1,3-dichloropropan-1-ol, 1,3-Dichloropropanol, Propanol, 1,3-dichloro-
| Molecular Formula | C3H6Cl2O |
|---|---|
| Molecular Weight | 127.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.97957 |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
Chemical Identifiers
| CAS Number | 26545-73-3 |
|---|---|
| SMILES | C(CCl)C(O)Cl |
| InChIKey | IFDLXKQSUOWIBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dichloropropanol (mixed isomers) (CAS 26545-73-3), with molecular formula C3H6Cl2O and molecular weight 127.98 g/mol. IUPAC: 1,3-dichloropropan-1-ol.
Chemical Property Profile of 1,3-Dichloropropanol (mixed isomers)
Property Insights of 1,3-Dichloropropanol (mixed isomers)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloropropanol (mixed isomers). With a topological polar surface area (TPSA) of 20.2 Ų, 1,3-Dichloropropanol (mixed isomers) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloropropanol (mixed isomers) 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 1,3-Dichloropropanol (mixed isomers)?
The CAS number of 1,3-Dichloropropanol (mixed isomers) is 26545-73-3.
What is the molecular formula of 1,3-Dichloropropanol (mixed isomers)?
The molecular formula of 1,3-Dichloropropanol (mixed isomers) is C3H6Cl2O.
What is the molecular weight of 1,3-Dichloropropanol (mixed isomers)?
The molecular weight of 1,3-Dichloropropanol (mixed isomers) is 127.98 g/mol.
Where can I buy 1,3-Dichloropropanol (mixed isomers)?
You can request a quote for 1,3-Dichloropropanol (mixed isomers) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloropropanol (mixed isomers)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloropropanol (mixed isomers) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.