TimTec1_002098
TL;DR: TimTec1_002098 (CAS 347356-03-0) is a chemical compound with molecular formula C26H23N3O2S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamothioyl]-3-phenylprop-2-enamide
Also Known As: TimTec1_002098, (E)-N-[(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamothioyl]-3-phenylprop-2-enamide, N-((5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamothioyl)cinnamamide, (2E)-N-[(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamothioyl]-3-phenylprop-2-enamide, (2E)-N-{[(5-acetyl(10H,11H-dibenzo[b,f]azaperhydroepin-3-yl))amino]thioxomethy l}-3-phenylprop-2-enamide
| Molecular Formula | C26H23N3O2S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 4.9962 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.1511 |
| Heavy Atoms | 32 |
| Complexity | 1204.7037 |
Chemical Identifiers
| CAS Number | 347356-03-0 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
TimTec1_002098 (CAS 347356-03-0), with molecular formula C26H23N3O2S and molecular weight 441.15 g/mol. IUPAC: (E)-N-[(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of TimTec1_002098
Property Insights of TimTec1_002098
The XLogP value of 4.9962 indicates that TimTec1_002098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002098. Following Lipinski's Rule of Five, TimTec1_002098 has 2 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 TimTec1_002098?
The CAS number of TimTec1_002098 is 347356-03-0.
What is the molecular formula of TimTec1_002098?
The molecular formula of TimTec1_002098 is C26H23N3O2S.
What is the molecular weight of TimTec1_002098?
The molecular weight of TimTec1_002098 is 441.15 g/mol.
Where can I buy TimTec1_002098?
You can request a quote for TimTec1_002098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002098?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.