A3115/0132009
TL;DR: A3115/0132009 (CAS 523990-85-4) is a chemical compound with molecular formula C21H28FN3O2S and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide
Also Known As: A3115/0132009, N-(4-fluorophenyl)-4,4-dimethyl-2-{[2-(4-morpholinyl)ethyl]amino}-6-oxo-1-cyclohexene-1-carbothioamide, N-(4-fluorophenyl)-4,4-dimethyl-2-{[2-(morpholin-4-yl)ethyl]amino}-6-oxocyclohex-1-ene-1-carbothioamide, N-(4-fluorophenyl)-4,4-dimethyl-2-((2-morpholinoethyl)amino)-6-oxocyclohex-1-enecarbothioamide, N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide
| Molecular Formula | C21H28FN3O2S |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 3.13 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.18863 |
| Heavy Atoms | 28 |
| Complexity | 755.4191 |
Chemical Identifiers
| CAS Number | 523990-85-4 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCCN3CCOCC3)C |
Product Overview
A3115/0132009 (CAS 523990-85-4), with molecular formula C21H28FN3O2S and molecular weight 405.19 g/mol. IUPAC: N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide.
Chemical Property Profile of A3115/0132009
Property Insights of A3115/0132009
The XLogP value of 3.13 indicates that A3115/0132009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, A3115/0132009 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3115/0132009 has 2 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 A3115/0132009?
The CAS number of A3115/0132009 is 523990-85-4.
What is the molecular formula of A3115/0132009?
The molecular formula of A3115/0132009 is C21H28FN3O2S.
What is the molecular weight of A3115/0132009?
The molecular weight of A3115/0132009 is 405.19 g/mol.
Where can I buy A3115/0132009?
You can request a quote for A3115/0132009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3115/0132009?
Yes, KEHONG BIO provides custom synthesis services for A3115/0132009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.