![1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine structure](/static/products/310/31066-96-3.png)
1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine
TL;DR: 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine (CAS 31066-96-3) is a chemical compound with molecular formula C18H20S and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,9,11-tetramethyl-5,7-dihydrobenzo[d][2]benzothiepine
Also Known As: NCI60_007994, 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepin, 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine, Dibenzo[c,e]thiepin, 5,7-dihydro-1,3,9,11-tetramethyl-, 1,3,9,11-tetramethyl-5,7-dihydrobenzo[d][2]benzothiepine
| Molecular Formula | C18H20S |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.12857 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 31066-96-3 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)CSCC3=CC(=CC(=C32)C)C)C |
| InChIKey | FGSXSCOUEIAMOA-UHFFFAOYSA-N |
Product Overview
1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine (CAS 31066-96-3), with molecular formula C18H20S and molecular weight 268.13 g/mol. IUPAC: 1,3,9,11-tetramethyl-5,7-dihydrobenzo[d][2]benzothiepine.
Chemical Property Profile of 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine
Property Insights of 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine
The XLogP value of 5.0 indicates that 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine 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 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine?
The CAS number of 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine is 31066-96-3.
What is the molecular formula of 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine?
The molecular formula of 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine is C18H20S.
What is the molecular weight of 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine?
The molecular weight of 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine is 268.13 g/mol.
Where can I buy 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine?
You can request a quote for 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine?
Yes, KEHONG BIO provides custom synthesis services for 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.