3-Bromo-3,5-cyclohexadiene-1,2-diol
TL;DR: 3-Bromo-3,5-cyclohexadiene-1,2-diol (CAS 87644-22-2) is a chemical compound with molecular formula C1=CC(C(C(=C1)Br)O)O and molecular weight 189.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromocyclohexa-3,5-diene-1,2-diol
Also Known As: 2,3-Dhdbb, Bromobenzene-2,3-dihydrodiol, Bromobenzene 2,3-dihydrodiol, 3-Bromo-3,5-cyclohexadiene-1,2-diol, 3-bromocyclohexa-3,5-diene-1,2-diol
| Molecular Formula | C1=CC(C(C(=C1)Br)O)O |
|---|---|
| Molecular Weight | 189.96 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.96294 |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 87644-22-2 |
|---|---|
| SMILES | C1=CC(C(C(=C1)Br)O)O |
| InChIKey | KLPGXZKAVBGFGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-3,5-cyclohexadiene-1,2-diol (CAS 87644-22-2), with molecular formula C1=CC(C(C(=C1)Br)O)O and molecular weight 189.96 g/mol. IUPAC: 3-bromocyclohexa-3,5-diene-1,2-diol.
Chemical Property Profile of 3-Bromo-3,5-cyclohexadiene-1,2-diol
Property Insights of 3-Bromo-3,5-cyclohexadiene-1,2-diol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-3,5-cyclohexadiene-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Bromo-3,5-cyclohexadiene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-3,5-cyclohexadiene-1,2-diol has 2 hydrogen bond donor(s) and 2 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-3,5-cyclohexadiene-1,2-diol?
The CAS number of 3-Bromo-3,5-cyclohexadiene-1,2-diol is 87644-22-2.
What is the molecular formula of 3-Bromo-3,5-cyclohexadiene-1,2-diol?
The molecular formula of 3-Bromo-3,5-cyclohexadiene-1,2-diol is C1=CC(C(C(=C1)Br)O)O.
What is the molecular weight of 3-Bromo-3,5-cyclohexadiene-1,2-diol?
The molecular weight of 3-Bromo-3,5-cyclohexadiene-1,2-diol is 189.96 g/mol.
Where can I buy 3-Bromo-3,5-cyclohexadiene-1,2-diol?
You can request a quote for 3-Bromo-3,5-cyclohexadiene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-3,5-cyclohexadiene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-3,5-cyclohexadiene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.