KS 504e
TL;DR: KS 504e (CAS 122006-32-0) is a chemical compound with molecular formula C7H3Cl7O2 and molecular weight 363.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)cyclopentene-1-carbaldehyde
Also Known As: KS 504e, (+)-4-Hydroxy-3,3,5,5-tetrachloro-2-(trichloromethyl)-1-cyclopentene-1-carboxaldehyde, 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)cyclopentene-1-carbaldehyde, 1-Cyclopentene-1-carboxaldehyde, 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)-, (+)-, 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-3,3,5,5-tetrachloro-2-(trichloromethyl)-, (+)-
| Molecular Formula | C7H3Cl7O2 |
|---|---|
| Molecular Weight | 363.80 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.7953 |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 122006-32-0 |
|---|---|
| SMILES | C(=O)C1=C(C(C(C1(Cl)Cl)O)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | DXCKXLJBDSYGTI-UHFFFAOYSA-N |
Product Overview
KS 504e (CAS 122006-32-0), with molecular formula C7H3Cl7O2 and molecular weight 363.80 g/mol. IUPAC: 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)cyclopentene-1-carbaldehyde.
Chemical Property Profile of KS 504e
Property Insights of KS 504e
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KS 504e. With a topological polar surface area (TPSA) of 37.3 Ų, KS 504e exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KS 504e has 1 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 KS 504e?
The CAS number of KS 504e is 122006-32-0.
What is the molecular formula of KS 504e?
The molecular formula of KS 504e is C7H3Cl7O2.
What is the molecular weight of KS 504e?
The molecular weight of KS 504e is 363.80 g/mol.
Where can I buy KS 504e?
You can request a quote for KS 504e directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KS 504e?
Yes, KEHONG BIO provides custom synthesis services for KS 504e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.