AH-487/40791594
TL;DR: AH-487/40791594 (CAS 347396-08-1) is a chemical compound with molecular formula C21H17FN2O3S and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AH-487/40791594, (5Z)-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{3-[(4-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-allyl-5-{3-[(4-fluorobenzyl)oxy]benzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C21H17FN2O3S |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 3.2174 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.0944 |
| Heavy Atoms | 28 |
| Complexity | 969.8709 |
Chemical Identifiers
| CAS Number | 347396-08-1 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC(=CC=C2)OCC3=CC=C(C=C3)F)/C(=O)NC1=S |
Product Overview
AH-487/40791594 (CAS 347396-08-1), with molecular formula C21H17FN2O3S and molecular weight 396.09 g/mol. IUPAC: (5Z)-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AH-487/40791594
Property Insights of AH-487/40791594
The XLogP value of 3.2174 indicates that AH-487/40791594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AH-487/40791594 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AH-487/40791594 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 AH-487/40791594?
The CAS number of AH-487/40791594 is 347396-08-1.
What is the molecular formula of AH-487/40791594?
The molecular formula of AH-487/40791594 is C21H17FN2O3S.
What is the molecular weight of AH-487/40791594?
The molecular weight of AH-487/40791594 is 396.09 g/mol.
Where can I buy AH-487/40791594?
You can request a quote for AH-487/40791594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40791594?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40791594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.