Bionet1_004927
TL;DR: Bionet1_004927 (CAS 692287-66-4) is a chemical compound with molecular formula C18H18FN3O2S and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-cyano-4,5-dimethoxyphenyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioate
Also Known As: Bionet1_004927, MixCom3_000220, 1-cyano-2-{[(E)-[(4-fluorobenzyl)amino](methylsulfanyl)methylidene]amino}-4,5-dimethoxybenzene, (E)-N'-(2-cyano-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl](methylsulfanyl)methanimidamide, 6T-0333
| Molecular Formula | C18H18FN3O2S |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 4.04568 |
| Topological Polar Surface Area | 66.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.11038 |
| Heavy Atoms | 25 |
| Complexity | 801.20386 |
Chemical Identifiers
| CAS Number | 692287-66-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)NC(=NCC2=CC=C(C=C2)F)SC)OC |
Product Overview
Bionet1_004927 (CAS 692287-66-4), with molecular formula C18H18FN3O2S and molecular weight 359.11 g/mol. IUPAC: methyl N-(2-cyano-4,5-dimethoxyphenyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioate.
Chemical Property Profile of Bionet1_004927
Property Insights of Bionet1_004927
The XLogP value of 4.04568 indicates that Bionet1_004927 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004927. Following Lipinski's Rule of Five, Bionet1_004927 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 Bionet1_004927?
The CAS number of Bionet1_004927 is 692287-66-4.
What is the molecular formula of Bionet1_004927?
The molecular formula of Bionet1_004927 is C18H18FN3O2S.
What is the molecular weight of Bionet1_004927?
The molecular weight of Bionet1_004927 is 359.11 g/mol.
Where can I buy Bionet1_004927?
You can request a quote for Bionet1_004927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004927?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.