3-Bromo-1,1-dichloropropane
TL;DR: 3-Bromo-1,1-dichloropropane (CAS 36668-45-8) is a chemical compound with molecular formula C3H5BrCl2 and molecular weight 189.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,1-dichloropropane
Also Known As: 3-BROMO-1,1-DICHLOROPROPANE, 1,1-Dichloro-3-bromopropane, 1-bromo-3,3-dichloropropane, J1.618.574D
| Molecular Formula | C3H5BrCl2 |
|---|---|
| Molecular Weight | 189.90 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.89517 |
| Heavy Atoms | 6 |
| Complexity | 30.0 |
Chemical Identifiers
| CAS Number | 36668-45-8 |
|---|---|
| SMILES | C(CBr)C(Cl)Cl |
| InChIKey | BNBJWYVNNOQIRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-1,1-dichloropropane (CAS 36668-45-8), with molecular formula C3H5BrCl2 and molecular weight 189.90 g/mol. IUPAC: 3-bromo-1,1-dichloropropane.
Chemical Property Profile of 3-Bromo-1,1-dichloropropane
Property Insights of 3-Bromo-1,1-dichloropropane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1,1-dichloropropane. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Bromo-1,1-dichloropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,1-dichloropropane has 0 hydrogen bond donor(s) and 0 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-Bromo-1,1-dichloropropane?
The CAS number of 3-Bromo-1,1-dichloropropane is 36668-45-8.
What is the molecular formula of 3-Bromo-1,1-dichloropropane?
The molecular formula of 3-Bromo-1,1-dichloropropane is C3H5BrCl2.
What is the molecular weight of 3-Bromo-1,1-dichloropropane?
The molecular weight of 3-Bromo-1,1-dichloropropane is 189.90 g/mol.
Where can I buy 3-Bromo-1,1-dichloropropane?
You can request a quote for 3-Bromo-1,1-dichloropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,1-dichloropropane?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,1-dichloropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.