RefChem:71237
TL;DR: RefChem:71237 (CAS 63589-93-5) is a chemical compound with molecular formula C20H8Cl12 and molecular weight 667.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene
Also Known As: Val-leu-lys 4-nitroanilide, 5,8,8a,12b-octahydro-4, Naphthalene-bis(hexachlorocyclopentadiene) adduct, Valyl-leucyl-lysine 4-nitroanilide, KST-1B6744
| Molecular Formula | C20H8Cl12 |
|---|---|
| Molecular Weight | 667.69 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 667.68884 |
| Heavy Atoms | 32 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 63589-93-5 |
|---|---|
| SMILES | C1=CC=C2C3C(C4C(C2=C1)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | ULBZLTIPWBXWCY-UHFFFAOYSA-N |
Product Overview
RefChem:71237 (CAS 63589-93-5), with molecular formula C20H8Cl12 and molecular weight 667.69 g/mol. IUPAC: 1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene.
Chemical Property Profile of RefChem:71237
Property Insights of RefChem:71237
The XLogP value of 7.8 indicates that RefChem:71237 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:71237 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:71237 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:71237?
The CAS number of RefChem:71237 is 63589-93-5.
What is the molecular formula of RefChem:71237?
The molecular formula of RefChem:71237 is C20H8Cl12.
What is the molecular weight of RefChem:71237?
The molecular weight of RefChem:71237 is 667.69 g/mol.
Where can I buy RefChem:71237?
You can request a quote for RefChem:71237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71237?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.