AF-399/40806245
TL;DR: AF-399/40806245 (CAS 379237-54-4) is a chemical compound with molecular formula C17H19N3OS2 and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
Also Known As: AF-399/40806245, 4-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 3,5-dimethyl-4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole, 4-[(3,5-dimethylisoxazol-4-yl)methylthio]-7-methyl-5,6,7,8-tetrahydrobenzo[b]t hiopheno[2,3-d]pyrimidine, 4-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
| Molecular Formula | C17H19N3OS2 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 4.71324 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.09695 |
| Heavy Atoms | 23 |
| Complexity | 848.7211 |
Chemical Identifiers
| CAS Number | 379237-54-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC4=C(ON=C4C)C |
Product Overview
AF-399/40806245 (CAS 379237-54-4), with molecular formula C17H19N3OS2 and molecular weight 345.10 g/mol. IUPAC: 3,5-dimethyl-4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole.
Chemical Property Profile of AF-399/40806245
Property Insights of AF-399/40806245
The XLogP value of 4.71324 indicates that AF-399/40806245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.81 Ų, AF-399/40806245 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40806245 has 0 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 AF-399/40806245?
The CAS number of AF-399/40806245 is 379237-54-4.
What is the molecular formula of AF-399/40806245?
The molecular formula of AF-399/40806245 is C17H19N3OS2.
What is the molecular weight of AF-399/40806245?
The molecular weight of AF-399/40806245 is 345.10 g/mol.
Where can I buy AF-399/40806245?
You can request a quote for AF-399/40806245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40806245?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40806245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.