(1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol
TL;DR: (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol (CAS 169529-93-5) is a chemical compound with molecular formula C6H8Br2O2 and molecular weight 269.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol
Also Known As: 5beta,6alpha-Dibromo-2-cyclohexene-1beta,4alpha-diol, (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol, 2beta,3alpha-Dibromocyclohexa-5-ene-1alpha,4beta-diol, 2-Cyclohexene-1,4-diol, 5,6-dibromo-, (1S,4S,5R,6R)-
| Molecular Formula | C6H8Br2O2 |
|---|---|
| Molecular Weight | 269.89 g/mol |
| LogP | 0.805 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.8891 |
| Heavy Atoms | 10 |
| Complexity | 132.68324 |
Chemical Identifiers
| CAS Number | 169529-93-5 |
|---|---|
| SMILES | C1=C[C@@H]([C@H]([C@@H]([C@H]1O)Br)Br)O |
Product Overview
(1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol (CAS 169529-93-5), with molecular formula C6H8Br2O2 and molecular weight 269.89 g/mol. IUPAC: (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol.
Chemical Property Profile of (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol
Property Insights of (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol
The XLogP value of 0.805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol. With a topological polar surface area (TPSA) of 40.46 Ų, (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-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 (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol?
The CAS number of (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol is 169529-93-5.
What is the molecular formula of (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol?
The molecular formula of (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol is C6H8Br2O2.
What is the molecular weight of (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol?
The molecular weight of (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol is 269.89 g/mol.
Where can I buy (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol?
You can request a quote for (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for (1S,4S,5R,6R)-5,6-dibromocyclohex-2-ene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.