AB00119960-01
TL;DR: AB00119960-01 (CAS 432508-58-2) is a chemical compound with molecular formula C21H18BrFN2O3S and molecular weight 476.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00119960-01, (5Z)-5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[3-bromo-4-(butan-2-yloxy)benzylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H18BrFN2O3S |
|---|---|
| Molecular Weight | 476.02 g/mol |
| LogP | 4.5968 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.02054 |
| Heavy Atoms | 29 |
| Complexity | 1007.48584 |
Chemical Identifiers
| CAS Number | 432508-58-2 |
|---|---|
| SMILES | CCC(C)OC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)Br |
Product Overview
AB00119960-01 (CAS 432508-58-2), with molecular formula C21H18BrFN2O3S and molecular weight 476.02 g/mol. IUPAC: (5Z)-5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00119960-01
Property Insights of AB00119960-01
The XLogP value of 4.5968 indicates that AB00119960-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00119960-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00119960-01 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 AB00119960-01?
The CAS number of AB00119960-01 is 432508-58-2.
What is the molecular formula of AB00119960-01?
The molecular formula of AB00119960-01 is C21H18BrFN2O3S.
What is the molecular weight of AB00119960-01?
The molecular weight of AB00119960-01 is 476.02 g/mol.
Where can I buy AB00119960-01?
You can request a quote for AB00119960-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00119960-01?
Yes, KEHONG BIO provides custom synthesis services for AB00119960-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.