(2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene
TL;DR: (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene (CAS 76619-10-8) is a chemical compound with molecular formula C15H20O4S4 and molecular weight 392.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene
Also Known As: (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene, (4aR,5aS,9aR,10aS)-2,3,7,8-Tetramethoxy-4a,5,5a,9a,10,10a-hexahydro-5,10-methanobenzo[1,2-b:4,5-b']bis[1,4]dithiine
| Molecular Formula | C15H20O4S4 |
|---|---|
| Molecular Weight | 392.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.02444 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 76619-10-8 |
|---|---|
| SMILES | COC1=C(S[C@H]2[C@@H](S1)C3CC2[C@H]4[C@@H]3SC(=C(S4)OC)OC)OC |
| InChIKey | DUOXPULWBZBVCL-QSRWHQBBSA-N |
Product Overview
(2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene (CAS 76619-10-8), with molecular formula C15H20O4S4 and molecular weight 392.02 g/mol. IUPAC: (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene.
Chemical Property Profile of (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene
Property Insights of (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene
The XLogP value of 3.8 indicates that (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene. Following Lipinski's Rule of Five, (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene has 0 hydrogen bond donor(s) and 8 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 (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
The CAS number of (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene is 76619-10-8.
What is the molecular formula of (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
The molecular formula of (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene is C15H20O4S4.
What is the molecular weight of (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
The molecular weight of (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene is 392.02 g/mol.
Where can I buy (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
You can request a quote for (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
Yes, KEHONG BIO provides custom synthesis services for (2S,7R,9S,14R)-4,5,11,12-tetramethoxy-3,6,10,13-tetrathiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.