AF-399/40827594
TL;DR: AF-399/40827594 (CAS 379246-72-7) is a chemical compound with molecular formula C15H20N4OS and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-N'-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanimidamide
Also Known As: AF-399/40827594, N,N-dimethyl-N'-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)ethanimidamide, 3-[(1E)-2-(dimethylamino)-1-azaprop-1-enyl]-2-methyl-3,5,6,7,8-pentahydrobenzo [b]thiopheno[2,3-d]pyrimidin-4-one, N,N-dimethyl-N'-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanimidamide
| Molecular Formula | C15H20N4OS |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 2.38832 |
| Topological Polar Surface Area | 50.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.13577 |
| Heavy Atoms | 21 |
| Complexity | 785.04803 |
Chemical Identifiers
| CAS Number | 379246-72-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1/N=C(\C)/N(C)C |
Product Overview
AF-399/40827594 (CAS 379246-72-7), with molecular formula C15H20N4OS and molecular weight 304.14 g/mol. IUPAC: N,N-dimethyl-N'-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanimidamide.
Chemical Property Profile of AF-399/40827594
Property Insights of AF-399/40827594
The XLogP value of 2.38832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40827594. With a topological polar surface area (TPSA) of 50.49 Ų, AF-399/40827594 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40827594 has 0 hydrogen bond donor(s) and 4 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 AF-399/40827594?
The CAS number of AF-399/40827594 is 379246-72-7.
What is the molecular formula of AF-399/40827594?
The molecular formula of AF-399/40827594 is C15H20N4OS.
What is the molecular weight of AF-399/40827594?
The molecular weight of AF-399/40827594 is 304.14 g/mol.
Where can I buy AF-399/40827594?
You can request a quote for AF-399/40827594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40827594?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40827594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.