3,4-Dibromohexahydrophthalic acid
TL;DR: 3,4-Dibromohexahydrophthalic acid (CAS 48140-98-3) is a chemical compound with molecular formula C8H10Br2O4 and molecular weight 327.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dibromocyclohexane-1,2-dicarboxylic acid
Also Known As: 3,4-Dibromohexahydrophthalic acid, EINECS 256-358-5, 3,4-dibromocyclohexane-1,2-dicarboxylic acid, 4,5-dibromo-1,2-cyclohexanedicarboxylic acid, 1,2-Cyclohexanedicarboxylicacid, 4,5-dibromo-
| Molecular Formula | C8H10Br2O4 |
|---|---|
| Molecular Weight | 327.89 g/mol |
| LogP | 1.7088 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.8946 |
| Heavy Atoms | 14 |
| Complexity | 255.72583 |
Chemical Identifiers
| CAS Number | 48140-98-3 |
|---|---|
| SMILES | C1CC(C(C(C1C(=O)O)C(=O)O)Br)Br |
Product Overview
3,4-Dibromohexahydrophthalic acid (CAS 48140-98-3), with molecular formula C8H10Br2O4 and molecular weight 327.89 g/mol. IUPAC: 3,4-dibromocyclohexane-1,2-dicarboxylic acid.
Chemical Property Profile of 3,4-Dibromohexahydrophthalic acid
Property Insights of 3,4-Dibromohexahydrophthalic acid
The XLogP value of 1.7088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dibromohexahydrophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dibromohexahydrophthalic acid. Following Lipinski's Rule of Five, 3,4-Dibromohexahydrophthalic acid 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 3,4-Dibromohexahydrophthalic acid?
The CAS number of 3,4-Dibromohexahydrophthalic acid is 48140-98-3.
What is the molecular formula of 3,4-Dibromohexahydrophthalic acid?
The molecular formula of 3,4-Dibromohexahydrophthalic acid is C8H10Br2O4.
What is the molecular weight of 3,4-Dibromohexahydrophthalic acid?
The molecular weight of 3,4-Dibromohexahydrophthalic acid is 327.89 g/mol.
Where can I buy 3,4-Dibromohexahydrophthalic acid?
You can request a quote for 3,4-Dibromohexahydrophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dibromohexahydrophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dibromohexahydrophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.