alpha-PCCH
TL;DR: alpha-PCCH (CAS 51795-30-3) is a chemical compound with molecular formula C6H5Cl5 and molecular weight 251.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R,5S,6S)-1,3,4,5,6-pentachlorocyclohexene
Also Known As: alpha-PCCH, KST-1A5385, c0514, (3s,4r,5s,6s)-1,3,4,5,6-pentachlorocyclohexene, Cyclohexene, 1,3,4,5,6-pentachloro-, (3alpha,4beta,5alpha,6alpha)-
| Molecular Formula | C6H5Cl5 |
|---|---|
| Molecular Weight | 251.88 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.88043 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 51795-30-3 |
|---|---|
| SMILES | C1=C([C@H]([C@H]([C@@H]([C@H]1Cl)Cl)Cl)Cl)Cl |
| InChIKey | MQYAVRUCONBHOR-BFYUJEOXSA-N |
Product Overview
alpha-PCCH (CAS 51795-30-3), with molecular formula C6H5Cl5 and molecular weight 251.88 g/mol. IUPAC: (3S,4R,5S,6S)-1,3,4,5,6-pentachlorocyclohexene.
Chemical Property Profile of alpha-PCCH
Property Insights of alpha-PCCH
The XLogP value of 3.8 indicates that alpha-PCCH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, alpha-PCCH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-PCCH has 0 hydrogen bond donor(s) and 0 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 alpha-PCCH?
The CAS number of alpha-PCCH is 51795-30-3.
What is the molecular formula of alpha-PCCH?
The molecular formula of alpha-PCCH is C6H5Cl5.
What is the molecular weight of alpha-PCCH?
The molecular weight of alpha-PCCH is 251.88 g/mol.
Where can I buy alpha-PCCH?
You can request a quote for alpha-PCCH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-PCCH?
Yes, KEHONG BIO provides custom synthesis services for alpha-PCCH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.