KS 504a
TL;DR: KS 504a (CAS 122089-28-5) 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.
2,4,4,6,6-pentachloro-7-(dichloromethylidene)-1-oxaspiro[2.4]heptan-5-ol
Also Known As: KS 504a, KS 504b, 2,4,4,6,6-pentachloro-7-(dichloromethylidene)-1-oxaspiro[2.4]heptan-5-ol, 1-Oxaspiro(2.4)heptan-5-ol, 2,4,4,6,6-pentachloro-7-(dichloromethylene)-, 6-Amino-2-methylpyridine-3-boronic acid pinacol ester
| Molecular Formula | C7H3Cl7O2 |
|---|---|
| Molecular Weight | 363.80 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.7953 |
| Heavy Atoms | 16 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 122089-28-5 |
|---|---|
| SMILES | C1(C(C(=C(Cl)Cl)C2(C1(Cl)Cl)C(O2)Cl)(Cl)Cl)O |
| InChIKey | PHUXLMFYGOIQKL-UHFFFAOYSA-N |
Product Overview
KS 504a (CAS 122089-28-5), with molecular formula C7H3Cl7O2 and molecular weight 363.80 g/mol. IUPAC: 2,4,4,6,6-pentachloro-7-(dichloromethylidene)-1-oxaspiro[2.4]heptan-5-ol.
Chemical Property Profile of KS 504a
Property Insights of KS 504a
The XLogP value of 3.1 indicates that KS 504a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, KS 504a exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KS 504a 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 504a?
The CAS number of KS 504a is 122089-28-5.
What is the molecular formula of KS 504a?
The molecular formula of KS 504a is C7H3Cl7O2.
What is the molecular weight of KS 504a?
The molecular weight of KS 504a is 363.80 g/mol.
Where can I buy KS 504a?
You can request a quote for KS 504a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KS 504a?
Yes, KEHONG BIO provides custom synthesis services for KS 504a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.