Heptan-2-one, 3,3-dibromo-1-iodo-
TL;DR: Heptan-2-one, 3,3-dibromo-1-iodo- (CAS 6335-37-1) is a chemical compound with molecular formula C7H11Br2IO and molecular weight 395.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dibromo-1-iodoheptan-2-one
Also Known As: 3,3-dibromo-1-iodoheptan-2-one, 3,3-dibromo-1-iodo-heptan-2-one, Heptan-2-one, 3,3-dibromo-1-iodo-, 3,3-Dibromo-1-iodo-2-heptanone, 1-iodo-3,3-dibromo-2-heptanone
| Molecular Formula | C7H11Br2IO |
|---|---|
| Molecular Weight | 395.82 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.82214 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 6335-37-1 |
|---|---|
| SMILES | CCCCC(C(=O)CI)(Br)Br |
| InChIKey | JJBPIIXVRZGUKZ-UHFFFAOYSA-N |
Product Overview
Heptan-2-one, 3,3-dibromo-1-iodo- (CAS 6335-37-1), with molecular formula C7H11Br2IO and molecular weight 395.82 g/mol. IUPAC: 3,3-dibromo-1-iodoheptan-2-one.
Chemical Property Profile of Heptan-2-one, 3,3-dibromo-1-iodo-
Property Insights of Heptan-2-one, 3,3-dibromo-1-iodo-
The XLogP value of 3.9 indicates that Heptan-2-one, 3,3-dibromo-1-iodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Heptan-2-one, 3,3-dibromo-1-iodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptan-2-one, 3,3-dibromo-1-iodo- 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 Heptan-2-one, 3,3-dibromo-1-iodo-?
The CAS number of Heptan-2-one, 3,3-dibromo-1-iodo- is 6335-37-1.
What is the molecular formula of Heptan-2-one, 3,3-dibromo-1-iodo-?
The molecular formula of Heptan-2-one, 3,3-dibromo-1-iodo- is C7H11Br2IO.
What is the molecular weight of Heptan-2-one, 3,3-dibromo-1-iodo-?
The molecular weight of Heptan-2-one, 3,3-dibromo-1-iodo- is 395.82 g/mol.
Where can I buy Heptan-2-one, 3,3-dibromo-1-iodo-?
You can request a quote for Heptan-2-one, 3,3-dibromo-1-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptan-2-one, 3,3-dibromo-1-iodo-?
Yes, KEHONG BIO provides custom synthesis services for Heptan-2-one, 3,3-dibromo-1-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.