A3070/0129763
TL;DR: A3070/0129763 (CAS 6327-26-0) is a chemical compound with molecular formula C23H18FN3O2S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: A3070/0129763, (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{(E)-1-[1-(3-FLUOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-1-PHENYL-2-THIOXODIHYDRO-4,6(1H,5H)-PYRIMIDINEDIONE
| Molecular Formula | C23H18FN3O2S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 4.06454 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.11038 |
| Heavy Atoms | 30 |
| Complexity | 1214.441 |
Chemical Identifiers
| CAS Number | 6327-26-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)F)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=CC=C4 |
Product Overview
A3070/0129763 (CAS 6327-26-0), with molecular formula C23H18FN3O2S and molecular weight 419.11 g/mol. IUPAC: (5E)-5-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of A3070/0129763
Property Insights of A3070/0129763
The XLogP value of 4.06454 indicates that A3070/0129763 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, A3070/0129763 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3070/0129763 has 1 hydrogen bond donor(s) and 3 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 A3070/0129763?
The CAS number of A3070/0129763 is 6327-26-0.
What is the molecular formula of A3070/0129763?
The molecular formula of A3070/0129763 is C23H18FN3O2S.
What is the molecular weight of A3070/0129763?
The molecular weight of A3070/0129763 is 419.11 g/mol.
Where can I buy A3070/0129763?
You can request a quote for A3070/0129763 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3070/0129763?
Yes, KEHONG BIO provides custom synthesis services for A3070/0129763 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.