1,4-Benzenedicarboxylate
TL;DR: 1,4-Benzenedicarboxylate (CAS 125300-07-4) is a chemical compound with molecular formula C8H4O4-2 and molecular weight 164.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
terephthalate
Also Known As: Terephthalate, p-Phthalic acid, 1,4-Benzenedicarboxylate, terephthalate(2-), p-Dicarboxybenzene
| Molecular Formula | C8H4O4-2 |
|---|---|
| Molecular Weight | 164.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.01096 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 125300-07-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])C(=O)[O-] |
| InChIKey | KKEYFWRCBNTPAC-UHFFFAOYSA-L |
Product Overview
1,4-Benzenedicarboxylate (CAS 125300-07-4), with molecular formula C8H4O4-2 and molecular weight 164.01 g/mol. IUPAC: terephthalate.
Chemical Property Profile of 1,4-Benzenedicarboxylate
Property Insights of 1,4-Benzenedicarboxylate
The XLogP value of 3.3 indicates that 1,4-Benzenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedicarboxylate. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylate has 0 hydrogen bond donor(s) and 4 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 1,4-Benzenedicarboxylate?
The CAS number of 1,4-Benzenedicarboxylate is 125300-07-4.
What is the molecular formula of 1,4-Benzenedicarboxylate?
The molecular formula of 1,4-Benzenedicarboxylate is C8H4O4-2.
What is the molecular weight of 1,4-Benzenedicarboxylate?
The molecular weight of 1,4-Benzenedicarboxylate is 164.01 g/mol.
Where can I buy 1,4-Benzenedicarboxylate?
You can request a quote for 1,4-Benzenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.