AN-988/41078531
TL;DR: AN-988/41078531 (CAS 6366-88-7) is a chemical compound with molecular formula C20H16BrFN2O3S and molecular weight 462.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AN-988/41078531, 5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{3-bromo-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-({3-BROMO-4-[(4-FLUOROPHENYL)METHOXY]PHENYL}METHYLIDENE)-1,3-DIMETHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 5-{3-bromo-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C20H16BrFN2O3S |
|---|---|
| Molecular Weight | 462.00 g/mol |
| LogP | 3.7659 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.0049 |
| Heavy Atoms | 28 |
| Complexity | 965.4454 |
Chemical Identifiers
| CAS Number | 6366-88-7 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)Br)C(=O)N(C1=S)C |
Product Overview
AN-988/41078531 (CAS 6366-88-7), with molecular formula C20H16BrFN2O3S and molecular weight 462.00 g/mol. IUPAC: 5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AN-988/41078531
Property Insights of AN-988/41078531
The XLogP value of 3.7659 indicates that AN-988/41078531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, AN-988/41078531 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-988/41078531 has 0 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 AN-988/41078531?
The CAS number of AN-988/41078531 is 6366-88-7.
What is the molecular formula of AN-988/41078531?
The molecular formula of AN-988/41078531 is C20H16BrFN2O3S.
What is the molecular weight of AN-988/41078531?
The molecular weight of AN-988/41078531 is 462.00 g/mol.
Where can I buy AN-988/41078531?
You can request a quote for AN-988/41078531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/41078531?
Yes, KEHONG BIO provides custom synthesis services for AN-988/41078531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.