1,3-Dibromo-2-propanone
TL;DR: 1,3-Dibromo-2-propanone (CAS 816-39-7) is a chemical compound with molecular formula C3H4Br2O and molecular weight 213.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibromopropan-2-one
Also Known As: 1,3-Dibromoacetone, 1,3-dibromopropan-2-one, 1,3-Dibromo-2-propanone, 2-Propanone, 1,3-dibromo-, 1,3-dibromopropanone
| Molecular Formula | C3H4Br2O |
|---|---|
| Molecular Weight | 213.86 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.86084 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 816-39-7 |
|---|---|
| SMILES | C(C(=O)CBr)Br |
| InChIKey | LQQKDSXCDXHLLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dibromo-2-propanone (CAS 816-39-7), with molecular formula C3H4Br2O and molecular weight 213.86 g/mol. IUPAC: 1,3-dibromopropan-2-one.
Chemical Property Profile of 1,3-Dibromo-2-propanone
Property Insights of 1,3-Dibromo-2-propanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dibromo-2-propanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Dibromo-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibromo-2-propanone has 0 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-Dibromo-2-propanone?
The CAS number of 1,3-Dibromo-2-propanone is 816-39-7.
What is the molecular formula of 1,3-Dibromo-2-propanone?
The molecular formula of 1,3-Dibromo-2-propanone is C3H4Br2O.
What is the molecular weight of 1,3-Dibromo-2-propanone?
The molecular weight of 1,3-Dibromo-2-propanone is 213.86 g/mol.
Where can I buy 1,3-Dibromo-2-propanone?
You can request a quote for 1,3-Dibromo-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dibromo-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibromo-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.