IFLab1_005489
TL;DR: IFLab1_005489 (CAS 23779-75-1) is a chemical compound with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: IFLab1_005489, 2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one, IDI1_010892, 4-Iodo-2,5-dimethoxyphenylisopropylamine, 2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C15H19N3O2S |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.1198 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 23779-75-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCOCC4 |
| InChIKey | JYDWJEICQVGGIR-UHFFFAOYSA-N |
Product Overview
IFLab1_005489 (CAS 23779-75-1), with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol. IUPAC: 2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of IFLab1_005489
Property Insights of IFLab1_005489
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005489. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005489. Following Lipinski's Rule of Five, IFLab1_005489 has 1 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_005489?
The CAS number of IFLab1_005489 is 23779-75-1.
What is the molecular formula of IFLab1_005489?
The molecular formula of IFLab1_005489 is C15H19N3O2S.
What is the molecular weight of IFLab1_005489?
The molecular weight of IFLab1_005489 is 305.12 g/mol.
Where can I buy IFLab1_005489?
You can request a quote for IFLab1_005489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005489?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.