TimTec1_000045
TL;DR: TimTec1_000045 (CAS 313231-83-3) is a chemical compound with molecular formula C24H19BrN2O3 and molecular weight 462.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-10,11-dimethoxy-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one
Also Known As: TimTec1_000045, BAS 01416802, BRD-A63228054-001-01-1, 6-(4-bromophenyl)-10,11-dimethoxy-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one, 6-(4-bromophenyl)-10,11-dimethoxy-7H,7aH-benzo[b]isoindolino[2,1-f]1,4-diazepi n-12-one
| Molecular Formula | C24H19BrN2O3 |
|---|---|
| Molecular Weight | 462.06 g/mol |
| LogP | 5.6923 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.05792 |
| Heavy Atoms | 30 |
| Complexity | 1187.5554 |
Chemical Identifiers
| CAS Number | 313231-83-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C3CC(=NC4=CC=CC=C4N3C2=O)C5=CC=C(C=C5)Br)OC |
Product Overview
TimTec1_000045 (CAS 313231-83-3), with molecular formula C24H19BrN2O3 and molecular weight 462.06 g/mol. IUPAC: 6-(4-bromophenyl)-10,11-dimethoxy-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one.
Chemical Property Profile of TimTec1_000045
Property Insights of TimTec1_000045
The XLogP value of 5.6923 indicates that TimTec1_000045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, TimTec1_000045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_000045 has 0 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_000045?
The CAS number of TimTec1_000045 is 313231-83-3.
What is the molecular formula of TimTec1_000045?
The molecular formula of TimTec1_000045 is C24H19BrN2O3.
What is the molecular weight of TimTec1_000045?
The molecular weight of TimTec1_000045 is 462.06 g/mol.
Where can I buy TimTec1_000045?
You can request a quote for TimTec1_000045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000045?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.