A3794/0161116
TL;DR: A3794/0161116 (CAS 727684-66-4) is a chemical compound with molecular formula C18H22N4OS and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-11-(2-phenylethyl)-5-thia-2,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
Also Known As: A3794/0161116, 8,8-dimethyl-3-(2-phenylethyl)-1,2,3,4,8,9-hexahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one, 8,8-DIMETHYL-3-PHENETHYL-1,2,3,4,8,9-HEXAHYDRO-5H-PYRIMIDO[5,4-E][1,3]THIAZOLO[3,2-A]PYRIMIDIN-5-ONE, 8,8-dimethyl-3-phenethyl-3,4,8,9-tetrahydro-1H-pyrimido[5,4-e]thiazolo[3,2-a]pyrimidin-5(2H)-one
| Molecular Formula | C18H22N4OS |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 2.5553 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.15143 |
| Heavy Atoms | 24 |
| Complexity | 815.7587 |
Chemical Identifiers
| CAS Number | 727684-66-4 |
|---|---|
| SMILES | CC1(CN2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)N=C2S1)C |
Product Overview
A3794/0161116 (CAS 727684-66-4), with molecular formula C18H22N4OS and molecular weight 342.15 g/mol. IUPAC: 4,4-dimethyl-11-(2-phenylethyl)-5-thia-2,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one.
Chemical Property Profile of A3794/0161116
Property Insights of A3794/0161116
The XLogP value of 2.5553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3794/0161116. With a topological polar surface area (TPSA) of 50.16 Ų, A3794/0161116 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3794/0161116 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 A3794/0161116?
The CAS number of A3794/0161116 is 727684-66-4.
What is the molecular formula of A3794/0161116?
The molecular formula of A3794/0161116 is C18H22N4OS.
What is the molecular weight of A3794/0161116?
The molecular weight of A3794/0161116 is 342.15 g/mol.
Where can I buy A3794/0161116?
You can request a quote for A3794/0161116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3794/0161116?
Yes, KEHONG BIO provides custom synthesis services for A3794/0161116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.