TimTec1_001080
TL;DR: TimTec1_001080 (CAS 330644-64-9) is a chemical compound with molecular formula C26H24ClN3O2S and molecular weight 477.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-6-(furan-2-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
Also Known As: TimTec1_001080, 10-{[(3-chlorophenyl)amino]thioxomethyl}-11-(2-furyl)-3,3-dimethyl-2,3,4-trihy dro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, N-(3-chlorophenyl)-11-(furan-2-yl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide, N-(3-chlorophenyl)-11-(furan-2-yl)-3,3-dimethyl-1-oxo-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide, N-(3-chlorophenyl)-6-(furan-2-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
| Molecular Formula | C26H24ClN3O2S |
|---|---|
| Molecular Weight | 477.13 g/mol |
| LogP | 6.9464 |
| Topological Polar Surface Area | 57.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 477.12778 |
| Heavy Atoms | 33 |
| Complexity | 1266.0562 |
Chemical Identifiers
| CAS Number | 330644-64-9 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC(=CC=C4)Cl)C5=CC=CO5)C(=O)C1)C |
Product Overview
TimTec1_001080 (CAS 330644-64-9), with molecular formula C26H24ClN3O2S and molecular weight 477.13 g/mol. IUPAC: N-(3-chlorophenyl)-6-(furan-2-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide.
Chemical Property Profile of TimTec1_001080
Property Insights of TimTec1_001080
The XLogP value of 6.9464 indicates that TimTec1_001080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.51 Ų, TimTec1_001080 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_001080 has 2 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 TimTec1_001080?
The CAS number of TimTec1_001080 is 330644-64-9.
What is the molecular formula of TimTec1_001080?
The molecular formula of TimTec1_001080 is C26H24ClN3O2S.
What is the molecular weight of TimTec1_001080?
The molecular weight of TimTec1_001080 is 477.13 g/mol.
Where can I buy TimTec1_001080?
You can request a quote for TimTec1_001080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001080?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.