(2,3,5,6-2H4)对苯二甲酸
TL;DR: (2,3,5,6-2H4)对苯二甲酸 (CAS 60088-54-2) is a chemical compound with molecular formula C8H6O4 and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,5,6-2H4)对苯二甲酸
2,3,5,6-tetradeuterioterephthalic acid
Also Known As: Terephthalic-D4 acid, terephthalic-d4, Terephthalic acid-d4, (2,3,5,6-2H4)Terephthalic acid, Terephthalic-d4-acid
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05171 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 60088-54-2 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])C(=O)O)[2H] |
| InChIKey | KKEYFWRCBNTPAC-RHQRLBAQSA-N |
Product Overview
(2,3,5,6-2H4)对苯二甲酸 (CAS 60088-54-2), with molecular formula C8H6O4 and molecular weight 170.05 g/mol. IUPAC: 2,3,5,6-tetradeuterioterephthalic acid.
Chemical Property Profile of (2,3,5,6-2H4)对苯二甲酸
Property Insights of (2,3,5,6-2H4)对苯二甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,3,5,6-2H4)对苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,3,5,6-2H4)对苯二甲酸. Following Lipinski's Rule of Five, (2,3,5,6-2H4)对苯二甲酸 has 2 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 (2,3,5,6-2H4)对苯二甲酸?
The CAS number of (2,3,5,6-2H4)对苯二甲酸 is 60088-54-2.
What is the molecular formula of (2,3,5,6-2H4)对苯二甲酸?
The molecular formula of (2,3,5,6-2H4)对苯二甲酸 is C8H6O4.
What is the molecular weight of (2,3,5,6-2H4)对苯二甲酸?
The molecular weight of (2,3,5,6-2H4)对苯二甲酸 is 170.05 g/mol.
Where can I buy (2,3,5,6-2H4)对苯二甲酸?
You can request a quote for (2,3,5,6-2H4)对苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,5,6-2H4)对苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for (2,3,5,6-2H4)对苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.