IFLab1_005247
TL;DR: IFLab1_005247 (CAS 315685-05-3) is a chemical compound with molecular formula C15H21N3OS and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
Also Known As: IFLab1_005247, AF-399/15336037, F1174-1617, 2-((2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol, 2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
| Molecular Formula | C15H21N3OS |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 3.06132 |
| Topological Polar Surface Area | 58.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14053 |
| Heavy Atoms | 20 |
| Complexity | 619.09644 |
Chemical Identifiers
| CAS Number | 315685-05-3 |
|---|---|
| SMILES | CCC(CO)NC1=C2C3=C(CCCC3)SC2=NC(=N1)C |
Product Overview
IFLab1_005247 (CAS 315685-05-3), with molecular formula C15H21N3OS and molecular weight 291.14 g/mol. IUPAC: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol.
Chemical Property Profile of IFLab1_005247
Property Insights of IFLab1_005247
The XLogP value of 3.06132 indicates that IFLab1_005247 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.04 Ų, IFLab1_005247 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005247 has 2 hydrogen bond donor(s) and 5 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_005247?
The CAS number of IFLab1_005247 is 315685-05-3.
What is the molecular formula of IFLab1_005247?
The molecular formula of IFLab1_005247 is C15H21N3OS.
What is the molecular weight of IFLab1_005247?
The molecular weight of IFLab1_005247 is 291.14 g/mol.
Where can I buy IFLab1_005247?
You can request a quote for IFLab1_005247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005247?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.