IFLab1_004735
TL;DR: IFLab1_004735 (CAS 459421-07-9) is a chemical compound with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxyethyl)-4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzamide
Also Known As: IFLab1_004735, IDI1_010490, AB00296441-02, F1102-0005, 4-{[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N-(2-hydroxyethyl)benzamide
| Molecular Formula | C19H19N3O3S2 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 2.4877 |
| Topological Polar Surface Area | 95.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.0868 |
| Heavy Atoms | 27 |
| Complexity | 1040.7748 |
Chemical Identifiers
| CAS Number | 459421-07-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC4=CC=C(C=C4)C(=O)NCCO |
Product Overview
IFLab1_004735 (CAS 459421-07-9), with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol. IUPAC: N-(2-hydroxyethyl)-4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzamide.
Chemical Property Profile of IFLab1_004735
Property Insights of IFLab1_004735
The XLogP value of 2.4877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004735. The TPSA of 95.08 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004735. Following Lipinski's Rule of Five, IFLab1_004735 has 3 hydrogen bond donor(s) and 6 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 IFLab1_004735?
The CAS number of IFLab1_004735 is 459421-07-9.
What is the molecular formula of IFLab1_004735?
The molecular formula of IFLab1_004735 is C19H19N3O3S2.
What is the molecular weight of IFLab1_004735?
The molecular weight of IFLab1_004735 is 401.09 g/mol.
Where can I buy IFLab1_004735?
You can request a quote for IFLab1_004735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004735?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.