Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide
TL;DR: Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide (CAS 109561-74-2) is a chemical compound with molecular formula C15H15IS and molecular weight 353.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5,7-dihydrobenzo[d][2]benzothiepin-6-ium iodide
Also Known As: 5,7-Dihydro-6-methyldibenzo(c,e)thiepinium iodide, 6-Methyl-5,7-dihydrodibenzo(c,e)thiepinium iodide, DIBENZO(c,e)THIEPINIUM, 5,7-DIHYDRO-6-METHYL-, IODIDE, 6-methyl-5,7-dihydrodibenzo[c,e]thiepinium iodide, 6-Methyl-5,7-dihydrodibenzo[c,e]thiepin-6-ium iodide
| Molecular Formula | C15H15IS |
|---|---|
| Molecular Weight | 353.99 g/mol |
| LogP | 0.62 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 353.99393 |
| Heavy Atoms | 17 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 109561-74-2 |
|---|---|
| SMILES | C[S+]1CC2=CC=CC=C2C3=CC=CC=C3C1.[I-] |
| InChIKey | UNBVHIYMNJSDBI-UHFFFAOYSA-M |
Product Overview
Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide (CAS 109561-74-2), with molecular formula C15H15IS and molecular weight 353.99 g/mol. IUPAC: 6-methyl-5,7-dihydrobenzo[d][2]benzothiepin-6-ium iodide.
Chemical Property Profile of Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide
Property Insights of Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide. With a topological polar surface area (TPSA) of 1.0 Ų, Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide has 0 hydrogen bond donor(s) and 1 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 Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide?
The CAS number of Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide is 109561-74-2.
What is the molecular formula of Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide?
The molecular formula of Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide is C15H15IS.
What is the molecular weight of Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide?
The molecular weight of Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide is 353.99 g/mol.
Where can I buy Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide?
You can request a quote for Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(c,e)thiepinium, 5,7-dihydro-6-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.