1,3-Cyclohexadiene, 6-bromo
TL;DR: 1,3-Cyclohexadiene, 6-bromo (CAS 95896-87-0) is a chemical compound with molecular formula C6H7Br and molecular weight 157.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromocyclohexa-1,3-diene
Also Known As: 1,3-Cyclohexadiene, 6-bromo, 5-bromocyclohexa-1,3-diene, 1,3-Cyclohexadiene, 5-bromo-, 1,3-Cyclohexadiene, 5-bromo- (9CI)
| Molecular Formula | C6H7Br |
|---|---|
| Molecular Weight | 157.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.97311 |
| Heavy Atoms | 7 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 95896-87-0 |
|---|---|
| SMILES | C1C=CC=CC1Br |
| InChIKey | ZNHUWWLVGFLEMW-UHFFFAOYSA-N |
Product Overview
1,3-Cyclohexadiene, 6-bromo (CAS 95896-87-0), with molecular formula C6H7Br and molecular weight 157.97 g/mol. IUPAC: 5-bromocyclohexa-1,3-diene.
Chemical Property Profile of 1,3-Cyclohexadiene, 6-bromo
Property Insights of 1,3-Cyclohexadiene, 6-bromo
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexadiene, 6-bromo. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Cyclohexadiene, 6-bromo exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexadiene, 6-bromo 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 1,3-Cyclohexadiene, 6-bromo?
The CAS number of 1,3-Cyclohexadiene, 6-bromo is 95896-87-0.
What is the molecular formula of 1,3-Cyclohexadiene, 6-bromo?
The molecular formula of 1,3-Cyclohexadiene, 6-bromo is C6H7Br.
What is the molecular weight of 1,3-Cyclohexadiene, 6-bromo?
The molecular weight of 1,3-Cyclohexadiene, 6-bromo is 157.97 g/mol.
Where can I buy 1,3-Cyclohexadiene, 6-bromo?
You can request a quote for 1,3-Cyclohexadiene, 6-bromo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexadiene, 6-bromo?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexadiene, 6-bromo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.