IFLab1_004003
TL;DR: IFLab1_004003 (CAS 308298-87-5) is a chemical compound with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide
Also Known As: IFLab1_004003, 4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N-(2-hydroxyethyl)benzamide, AF-399/40634564, F0876-0010, 4-(((4-amino-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(2-hydroxyethyl)benzamide
| Molecular Formula | C20H22N4O2S2 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.1667 |
| Topological Polar Surface Area | 101.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1184 |
| Heavy Atoms | 28 |
| Complexity | 1001.6035 |
Chemical Identifiers
| CAS Number | 308298-87-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC4=CC=C(C=C4)C(=O)NCCO)N |
Product Overview
IFLab1_004003 (CAS 308298-87-5), with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol. IUPAC: 4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide.
Chemical Property Profile of IFLab1_004003
Property Insights of IFLab1_004003
The XLogP value of 3.1667 indicates that IFLab1_004003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.13 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004003. Following Lipinski's Rule of Five, IFLab1_004003 has 3 hydrogen bond donor(s) and 7 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_004003?
The CAS number of IFLab1_004003 is 308298-87-5.
What is the molecular formula of IFLab1_004003?
The molecular formula of IFLab1_004003 is C20H22N4O2S2.
What is the molecular weight of IFLab1_004003?
The molecular weight of IFLab1_004003 is 414.12 g/mol.
Where can I buy IFLab1_004003?
You can request a quote for IFLab1_004003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004003?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.