BAS 01090288
TL;DR: BAS 01090288 (CAS 336170-75-3) is a chemical compound with molecular formula C21H20FN3O2S and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 01090288, (5E)-5-[[4-(diethylamino)phenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(4-(diethylamino)benzylidene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-{[4-(diethylamino)phenyl]methylene}-1-(4-fluorophenyl)-2-thioxo-1,3-dihydrop yrimidine-4,6-dione
| Molecular Formula | C21H20FN3O2S |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 3.5032 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.12604 |
| Heavy Atoms | 28 |
| Complexity | 935.128 |
Chemical Identifiers
| CAS Number | 336170-75-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F |
Product Overview
BAS 01090288 (CAS 336170-75-3), with molecular formula C21H20FN3O2S and molecular weight 397.13 g/mol. IUPAC: (5E)-5-[[4-(diethylamino)phenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 01090288
Property Insights of BAS 01090288
The XLogP value of 3.5032 indicates that BAS 01090288 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, BAS 01090288 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01090288 has 1 hydrogen bond donor(s) and 4 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 BAS 01090288?
The CAS number of BAS 01090288 is 336170-75-3.
What is the molecular formula of BAS 01090288?
The molecular formula of BAS 01090288 is C21H20FN3O2S.
What is the molecular weight of BAS 01090288?
The molecular weight of BAS 01090288 is 397.13 g/mol.
Where can I buy BAS 01090288?
You can request a quote for BAS 01090288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01090288?
Yes, KEHONG BIO provides custom synthesis services for BAS 01090288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.