TimTec1_008045
TL;DR: TimTec1_008045 (CAS 442570-06-1) is a chemical compound with molecular formula C25H23N3O and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methylphenyl)-6-pyridin-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: TimTec1_008045, IDI1_033699, BAS 09588205, BRD-A87979106-001-01-9, A3193/0135324
| Molecular Formula | C25H23N3O |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 5.36952 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.1841 |
| Heavy Atoms | 29 |
| Complexity | 1086.566 |
Chemical Identifiers
| CAS Number | 442570-06-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CN=CC=C5)C(=O)C2 |
Product Overview
TimTec1_008045 (CAS 442570-06-1), with molecular formula C25H23N3O and molecular weight 381.18 g/mol. IUPAC: 9-(4-methylphenyl)-6-pyridin-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of TimTec1_008045
Property Insights of TimTec1_008045
The XLogP value of 5.36952 indicates that TimTec1_008045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, TimTec1_008045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_008045 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_008045?
The CAS number of TimTec1_008045 is 442570-06-1.
What is the molecular formula of TimTec1_008045?
The molecular formula of TimTec1_008045 is C25H23N3O.
What is the molecular weight of TimTec1_008045?
The molecular weight of TimTec1_008045 is 381.18 g/mol.
Where can I buy TimTec1_008045?
You can request a quote for TimTec1_008045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_008045?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_008045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.