AB00098113-01
TL;DR: AB00098113-01 (CAS 330209-06-8) is a chemical compound with molecular formula C19H12FN3O2S and molecular weight 365.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile
Also Known As: AB00098113-01, (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile, (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((4-fluorophenyl)amino)acrylonitrile, (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)amino]prop-2-enenitrile, (2Z)-2-[4-(2H-1,3-BENZODIOXOL-5-YL)-1,3-THIAZOL-2-YL]-3-[(4-FLUOROPHENYL)AMINO]PROP-2-ENENITRILE
| Molecular Formula | C19H12FN3O2S |
|---|---|
| Molecular Weight | 365.06 g/mol |
| LogP | 4.65448 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.06342 |
| Heavy Atoms | 26 |
| Complexity | 1022.00867 |
Chemical Identifiers
| CAS Number | 330209-06-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C\NC4=CC=C(C=C4)F)/C#N |
Product Overview
AB00098113-01 (CAS 330209-06-8), with molecular formula C19H12FN3O2S and molecular weight 365.06 g/mol. IUPAC: (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile.
Chemical Property Profile of AB00098113-01
Property Insights of AB00098113-01
The XLogP value of 4.65448 indicates that AB00098113-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098113-01. Following Lipinski's Rule of Five, AB00098113-01 has 1 hydrogen bond donor(s) and 6 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 AB00098113-01?
The CAS number of AB00098113-01 is 330209-06-8.
What is the molecular formula of AB00098113-01?
The molecular formula of AB00098113-01 is C19H12FN3O2S.
What is the molecular weight of AB00098113-01?
The molecular weight of AB00098113-01 is 365.06 g/mol.
Where can I buy AB00098113-01?
You can request a quote for AB00098113-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098113-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098113-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.