AF-399/40804839
TL;DR: AF-399/40804839 (CAS 327094-68-8) is a chemical compound with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4,5-dimethyl-2-oxo-6,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-12-yl)acetate
Also Known As: AF-399/40804839, ethyl (6,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]thieno[2,3-d]pyrimidin-3-yl)acetate, ethyl 2-(6,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]thieno[2,3-d]pyrimidin-3-yl)acetate, ethyl 2-(6,7-dimethyl-5-oxo-4-hydro-1,3-thiazolino[3,2-a]thiopheno[2,3-d]pyrim idin-3-yl)acetate
| Molecular Formula | C14H14N2O3S2 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0446 |
| Heavy Atoms | 21 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 327094-68-8 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC2=NC3=C(C(=C(S3)C)C)C(=O)N12 |
| InChIKey | YCTLGIIOLPUZOS-UHFFFAOYSA-N |
Product Overview
AF-399/40804839 (CAS 327094-68-8), with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol. IUPAC: ethyl 2-(4,5-dimethyl-2-oxo-6,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-12-yl)acetate.
Chemical Property Profile of AF-399/40804839
Property Insights of AF-399/40804839
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40804839. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40804839. Following Lipinski's Rule of Five, AF-399/40804839 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-399/40804839?
The CAS number of AF-399/40804839 is 327094-68-8.
What is the molecular formula of AF-399/40804839?
The molecular formula of AF-399/40804839 is C14H14N2O3S2.
What is the molecular weight of AF-399/40804839?
The molecular weight of AF-399/40804839 is 322.04 g/mol.
Where can I buy AF-399/40804839?
You can request a quote for AF-399/40804839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40804839?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40804839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.