TimTec1_006242
TL;DR: TimTec1_006242 (CAS 578005-15-9) is a chemical compound with molecular formula C24H26N4OS2 and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] piperidine-1-carbodithioate
Also Known As: TimTec1_006242, 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl piperidine-1-carbodithioate, A3304/0140415, (1Z)-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-hydrazone, [(4-METHYL-3-PHENYL-3H-1,5-BENZODIAZEPIN-2-YL)CARBAMOYL]METHYL PIPERIDINE-1-CARBODITHIOATE
| Molecular Formula | C24H26N4OS2 |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 5.2266 |
| Topological Polar Surface Area | 57.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.15482 |
| Heavy Atoms | 31 |
| Complexity | 1013.2492 |
Chemical Identifiers
| CAS Number | 578005-15-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC(=S)N4CCCCC4 |
Product Overview
TimTec1_006242 (CAS 578005-15-9), with molecular formula C24H26N4OS2 and molecular weight 450.15 g/mol. IUPAC: [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] piperidine-1-carbodithioate.
Chemical Property Profile of TimTec1_006242
Property Insights of TimTec1_006242
The XLogP value of 5.2266 indicates that TimTec1_006242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.06 Ų, TimTec1_006242 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_006242 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_006242?
The CAS number of TimTec1_006242 is 578005-15-9.
What is the molecular formula of TimTec1_006242?
The molecular formula of TimTec1_006242 is C24H26N4OS2.
What is the molecular weight of TimTec1_006242?
The molecular weight of TimTec1_006242 is 450.15 g/mol.
Where can I buy TimTec1_006242?
You can request a quote for TimTec1_006242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006242?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.