![11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide structure](/static/products/843/843633-82-9.png)
11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide
TL;DR: 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide (CAS 843633-82-9) is a chemical compound with molecular formula C28H35N3OS and molecular weight 461.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-tert-butylphenyl)-N-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
Also Known As: 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide, 11-(4-tert-butylphenyl)-N-ethyl-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide, 6-(4-tert-butylphenyl)-N-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
| Molecular Formula | C28H35N3OS |
|---|---|
| Molecular Weight | 461.25 g/mol |
| LogP | 6.4949 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 461.2501 |
| Heavy Atoms | 33 |
| Complexity | 1108.7075 |
Chemical Identifiers
| CAS Number | 843633-82-9 |
|---|---|
| SMILES | CCNC(=S)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide (CAS 843633-82-9), with molecular formula C28H35N3OS and molecular weight 461.25 g/mol. IUPAC: 6-(4-tert-butylphenyl)-N-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide.
Chemical Property Profile of 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide
Property Insights of 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide
The XLogP value of 6.4949 indicates that 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide?
The CAS number of 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide is 843633-82-9.
What is the molecular formula of 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide?
The molecular formula of 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide is C28H35N3OS.
What is the molecular weight of 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide?
The molecular weight of 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide is 461.25 g/mol.
Where can I buy 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide?
You can request a quote for 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 11-(4-(tert-butyl)phenyl)-N-ethyl-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.