![1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine structure](/static/products/4774/4774-26-9.webp)
1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine
TL;DR: 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine (CAS 4774-26-9) is a chemical compound with molecular formula C20H24N2S and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-1,4-diazepane
Also Known As: AE-641/00614028, 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine, 1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-1,4-diazepane, 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-1,4-diazepane
| Molecular Formula | C20H24N2S |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.16602 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 4774-26-9 |
|---|---|
| SMILES | CN1CCCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24 |
| InChIKey | SKDXVNLUUVYCCM-UHFFFAOYSA-N |
Product Overview
1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine (CAS 4774-26-9), with molecular formula C20H24N2S and molecular weight 324.17 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-1,4-diazepane.
Chemical Property Profile of 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine
Property Insights of 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine
The XLogP value of 4.1 indicates that 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine has 0 hydrogen bond donor(s) and 3 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-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine?
The CAS number of 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine is 4774-26-9.
What is the molecular formula of 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine?
The molecular formula of 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine is C20H24N2S.
What is the molecular weight of 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine?
The molecular weight of 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine is 324.17 g/mol.
Where can I buy 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine?
You can request a quote for 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.