TimTec1_004138
TL;DR: TimTec1_004138 (CAS 100698-47-3) is a chemical compound with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]isoindole-1,3-dione
Also Known As: TimTec1_004138, 2,9-dicarboxy-1H,10H-benzo
| Molecular Formula | C18H15N3O3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.11133 |
| Heavy Atoms | 24 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 100698-47-3 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)N(C1=O)C |
| InChIKey | LCKOFVPAMFZHMX-UHFFFAOYSA-N |
Product Overview
TimTec1_004138 (CAS 100698-47-3), with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol. IUPAC: 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]isoindole-1,3-dione.
Chemical Property Profile of TimTec1_004138
Property Insights of TimTec1_004138
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_004138. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004138. Following Lipinski's Rule of Five, TimTec1_004138 has 0 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_004138?
The CAS number of TimTec1_004138 is 100698-47-3.
What is the molecular formula of TimTec1_004138?
The molecular formula of TimTec1_004138 is C18H15N3O3.
What is the molecular weight of TimTec1_004138?
The molecular weight of TimTec1_004138 is 321.11 g/mol.
Where can I buy TimTec1_004138?
You can request a quote for TimTec1_004138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004138?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.