CID 417
TL;DR: CID 417 (CAS 20665-95-6) is a chemical compound with molecular formula C6H5ClO4 and molecular weight 175.98764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
CID 417
3-chlorohexa-2,4-dienedioic acid
Also Known As: 3-chloromuconic acid, 3-Chloro-2,4-hexadienedioic acid, 3-chlorohexa-2,4-dienedioic acid, Benzoyl(cyclohexyloxy)carbonylperoxide, 2,4-Hexadienedioic acid, 3-chloro-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClO4 |
| Molecular Weight | 175.98764 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.98764 Da |
| Heavy Atoms | 11 |
| Complexity | 229.0 |
| SMILES | C(=CC(=O)O)C(=CC(=O)O)Cl |
| InChIKey | ICMVYBXQDUXEEE-UHFFFAOYSA-N |
Product Description
Applications: CID 417 is used in analytical chemistry as a reagent, standard, or reference material, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A analytical reagent supplied by CoreyChem, CID 417 (CAS 20665-95-6) has the molecular formula C6H5ClO4 and a molecular weight of 175.99 g/mol. Synonyms include 3-chloromuconic acid and 3-Chloro-2,4-hexadienedioic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of CID 417
Property Insights of CID 417
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 417. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 417. Following Lipinski's Rule of Five, CID 417 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
What is the CAS number of CID 417?
The CAS number of CID 417 is 20665-95-6.
What is the molecular formula of CID 417?
The molecular formula of CID 417 is C6H5ClO4.
What is the molecular weight of CID 417?
The molecular weight of CID 417 is 175.98764 g/mol.
What are the applications of CID 417?
CID 417 is used in analytical chemistry as a reagent, standard, or reference material, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy CID 417?
You can request a quote for CID 417 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CID 417?
Yes, CoreyChem provides custom synthesis services for CID 417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.