![O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate structure](/static/products/3899/38995-98-1.webp)
O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate
TL;DR: O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate (CAS 38995-98-1) is a chemical compound with molecular formula C19H22N2O10S2 and molecular weight 502.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate
Also Known As: O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate, S-(2,4-Dinitrophenyl) O-[(2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methyl] carbonodithioate
| Molecular Formula | C19H22N2O10S2 |
|---|---|
| Molecular Weight | 502.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.0716 |
| Heavy Atoms | 33 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 38995-98-1 |
|---|---|
| SMILES | CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=S)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | YBMUJAWDMWHDSA-UHFFFAOYSA-N |
Product Overview
O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate (CAS 38995-98-1), with molecular formula C19H22N2O10S2 and molecular weight 502.07 g/mol. IUPAC: O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate.
Chemical Property Profile of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate
Property Insights of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate
The XLogP value of 3.3 indicates that O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.0 Ų indicates high polarity, suggesting O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate?
The CAS number of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate is 38995-98-1.
What is the molecular formula of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate?
The molecular formula of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate is C19H22N2O10S2.
What is the molecular weight of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate?
The molecular weight of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate is 502.07 g/mol.
Where can I buy O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate?
You can request a quote for O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.