TimTec1_007747
TL;DR: TimTec1_007747 (CAS 1005268-53-0) is a chemical compound with molecular formula C15H11ClFNO4 and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: TimTec1_007747, BAS 06763413, IDI1_033401, 2-(4-chloro-3-fluorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0<1,5>]dec-8-ene- 6-carboxylic acid
| Molecular Formula | C15H11ClFNO4 |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 1.8501 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.03607 |
| Heavy Atoms | 22 |
| Complexity | 736.2527 |
Chemical Identifiers
| CAS Number | 1005268-53-0 |
|---|---|
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1C4=CC(=C(C=C4)Cl)F)C(=O)O |
Product Overview
TimTec1_007747 (CAS 1005268-53-0), with molecular formula C15H11ClFNO4 and molecular weight 323.04 g/mol. IUPAC: 3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of TimTec1_007747
Property Insights of TimTec1_007747
The XLogP value of 1.8501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_007747. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_007747. Following Lipinski's Rule of Five, TimTec1_007747 has 1 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_007747?
The CAS number of TimTec1_007747 is 1005268-53-0.
What is the molecular formula of TimTec1_007747?
The molecular formula of TimTec1_007747 is C15H11ClFNO4.
What is the molecular weight of TimTec1_007747?
The molecular weight of TimTec1_007747 is 323.04 g/mol.
Where can I buy TimTec1_007747?
You can request a quote for TimTec1_007747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_007747?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_007747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.