![3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde structure](/static/products/488/488121-96-6.png)
3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde
TL;DR: 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde (CAS 488121-96-6) is a chemical compound with molecular formula C28H28N2O2S and molecular weight 456.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-tert-butylphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carbaldehyde
Also Known As: 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde, 3-(4-tert-butylphenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbaldehyde, 3-(4-tert-butylphenyl)-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbaldehyde, 9-(4-tert-butylphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carbaldehyde
| Molecular Formula | C28H28N2O2S |
|---|---|
| Molecular Weight | 456.19 g/mol |
| LogP | 6.576 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.18716 |
| Heavy Atoms | 33 |
| Complexity | 1219.5382 |
Chemical Identifiers
| CAS Number | 488121-96-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C=O)C5=CC=CS5)C(=O)C2 |
Product Overview
3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde (CAS 488121-96-6), with molecular formula C28H28N2O2S and molecular weight 456.19 g/mol. IUPAC: 9-(4-tert-butylphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carbaldehyde.
Chemical Property Profile of 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde
Property Insights of 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde
The XLogP value of 6.576 indicates that 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde?
The CAS number of 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde is 488121-96-6.
What is the molecular formula of 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde?
The molecular formula of 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde is C28H28N2O2S.
What is the molecular weight of 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde?
The molecular weight of 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde is 456.19 g/mol.
Where can I buy 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde?
You can request a quote for 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(tert-butyl)phenyl)-1-oxo-11-(thiophen-2-yl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.