7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate
TL;DR: 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate (CAS 67061-91-0) is a chemical compound with molecular formula C18H18N4O7S and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,12-dimethyl-3-thia-12-azatricyclo[6.3.1.02,6]dodeca-2(6),4,9-triene;2,4,6-trinitrophenol
Also Known As: 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate, Cycloocta(b)thiophen-5,9-imine, 4,5,7,9-tetrahydro-7,10-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1), 2,4,6-Trinitrophenol--7,10-dimethyl-4,5,8,9-tetrahydro-5,9-epiminocycloocta[b]thiophene (1/1), RefChem:335784
| Molecular Formula | C18H18N4O7S |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 4.1125 |
| Topological Polar Surface Area | 152.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.08963 |
| Heavy Atoms | 30 |
| Complexity | 1029.5494 |
Chemical Identifiers
| CAS Number | 67061-91-0 |
|---|---|
| SMILES | CC1=CC2CC3=C(C(C1)N2C)SC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate (CAS 67061-91-0), with molecular formula C18H18N4O7S and molecular weight 434.09 g/mol. IUPAC: 10,12-dimethyl-3-thia-12-azatricyclo[6.3.1.02,6]dodeca-2(6),4,9-triene;2,4,6-trinitrophenol.
Chemical Property Profile of 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate
Property Insights of 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate
The XLogP value of 4.1125 indicates that 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.89 Ų indicates high polarity, suggesting 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate has 1 hydrogen bond donor(s) and 9 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 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate?
The CAS number of 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate is 67061-91-0.
What is the molecular formula of 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate?
The molecular formula of 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate is C18H18N4O7S.
What is the molecular weight of 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate?
The molecular weight of 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate is 434.09 g/mol.
Where can I buy 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate?
You can request a quote for 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate?
Yes, KEHONG BIO provides custom synthesis services for 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.