1,1,3,3-Tetrabromo-2-heptanone
TL;DR: 1,1,3,3-Tetrabromo-2-heptanone (CAS 6335-36-0) is a chemical compound with molecular formula C7H10Br4O and molecular weight 425.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3,3-tetrabromoheptan-2-one
Also Known As: 1,1,3,3-tetrabromoheptan-2-one, 3-chloropropionylisocyanate, 1,1,3,3-Tetrabromo-2-heptanone, Heptan-2-one, 1,1,3,3-tetrabromo-, KST-1B6686
| Molecular Formula | C7H10Br4O |
|---|---|
| Molecular Weight | 425.75 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.74652 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 6335-36-0 |
|---|---|
| SMILES | CCCCC(C(=O)C(Br)Br)(Br)Br |
| InChIKey | YZLMJUDSGWUSTD-UHFFFAOYSA-N |
Product Overview
1,1,3,3-Tetrabromo-2-heptanone (CAS 6335-36-0), with molecular formula C7H10Br4O and molecular weight 425.75 g/mol. IUPAC: 1,1,3,3-tetrabromoheptan-2-one.
Chemical Property Profile of 1,1,3,3-Tetrabromo-2-heptanone
Property Insights of 1,1,3,3-Tetrabromo-2-heptanone
The XLogP value of 4.9 indicates that 1,1,3,3-Tetrabromo-2-heptanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,3,3-Tetrabromo-2-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3,3-Tetrabromo-2-heptanone 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 1,1,3,3-Tetrabromo-2-heptanone?
The CAS number of 1,1,3,3-Tetrabromo-2-heptanone is 6335-36-0.
What is the molecular formula of 1,1,3,3-Tetrabromo-2-heptanone?
The molecular formula of 1,1,3,3-Tetrabromo-2-heptanone is C7H10Br4O.
What is the molecular weight of 1,1,3,3-Tetrabromo-2-heptanone?
The molecular weight of 1,1,3,3-Tetrabromo-2-heptanone is 425.75 g/mol.
Where can I buy 1,1,3,3-Tetrabromo-2-heptanone?
You can request a quote for 1,1,3,3-Tetrabromo-2-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3,3-Tetrabromo-2-heptanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3,3-Tetrabromo-2-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.