RefChem:189516
TL;DR: RefChem:189516 (CAS 68400-79-3) is a chemical compound with molecular formula C40H60P2S5 and molecular weight 762.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sulfanylidene-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)sulfanyl]-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)sulfanyl]phosphinothioyl]sulfanyl-λ5-phosphane
Also Known As: Thiodiphosphonic acid (((HS)HP(S))2S), bis(2,6,6-trimethylbicyclo(3.1.1)hept-2-enyl)-, bis(2,6,6-trimethylbicyclo(3.1.1)hept-2-enyl) ester, Thiodiphosphonic acid (((HS)HP(S))2S), P,P'-bis(2,6,6-trimethylbicyclo(3.1.1)hept-2-enyl)-, P,P'-bis(2,6,6-trimethylbicyclo(3.1.1)hept-2-enyl) ester, pentathiodiphosphonic acid, p,p-bis(2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl)-, bis(2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl) ester, Thiodiphosphonic acid ([(HS)HP(S)]2S), bis(2,6,6-trimethylbicyclo[3.1.1]hept-2-enyl)-, bis(2,6,6-trimethylbicyclo[3.1.1]hept-2-enyl) ester, Bis(2,6,6-trimethylbicyclo(3.1.1)hept-2-enyl) bis(2,6,6-trimethylbicyclo(3.1.1)hept-2-enyl)thiodiphosphonate
| Molecular Formula | C40H60P2S5 |
|---|---|
| Molecular Weight | 762.28 g/mol |
| LogP | 12.3 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 762.2774 |
| Heavy Atoms | 47 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 68400-79-3 |
|---|---|
| SMILES | CC1=C(CC2CC1C2(C)C)P(=S)(SC3=C(C4CC(C3)C4(C)C)C)SP(=S)(C5=C(C6CC(C5)C6(C)C)C)SC7=C(C8CC(C7)C8(C)C)C |
| InChIKey | ZZMOHCWFHCHISQ-UHFFFAOYSA-N |
Product Overview
RefChem:189516 (CAS 68400-79-3), with molecular formula C40H60P2S5 and molecular weight 762.28 g/mol. IUPAC: sulfanylidene-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)sulfanyl]-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)sulfanyl]phosphinothioyl]sulfanyl-λ5-phosphane.
Chemical Property Profile of RefChem:189516
Property Insights of RefChem:189516
The XLogP value of 12.3 indicates that RefChem:189516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:189516 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:189516 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:189516?
The CAS number of RefChem:189516 is 68400-79-3.
What is the molecular formula of RefChem:189516?
The molecular formula of RefChem:189516 is C40H60P2S5.
What is the molecular weight of RefChem:189516?
The molecular weight of RefChem:189516 is 762.28 g/mol.
Where can I buy RefChem:189516?
You can request a quote for RefChem:189516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:189516?
Yes, KEHONG BIO provides custom synthesis services for RefChem:189516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.