AB00668106-01
TL;DR: AB00668106-01 (CAS 476463-29-3) is a chemical compound with molecular formula C20H18FN3O4S and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Also Known As: AB00668106-01, F0529-0422, (2E)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, (E)-N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylamide, (E)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
| Molecular Formula | C20H18FN3O4S |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 4.0219 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.10022 |
| Heavy Atoms | 29 |
| Complexity | 1009.4556 |
Chemical Identifiers
| CAS Number | 476463-29-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F |
Product Overview
AB00668106-01 (CAS 476463-29-3), with molecular formula C20H18FN3O4S and molecular weight 415.10 g/mol. IUPAC: (E)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of AB00668106-01
Property Insights of AB00668106-01
The XLogP value of 4.0219 indicates that AB00668106-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668106-01. Following Lipinski's Rule of Five, AB00668106-01 has 1 hydrogen bond donor(s) and 7 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 AB00668106-01?
The CAS number of AB00668106-01 is 476463-29-3.
What is the molecular formula of AB00668106-01?
The molecular formula of AB00668106-01 is C20H18FN3O4S.
What is the molecular weight of AB00668106-01?
The molecular weight of AB00668106-01 is 415.10 g/mol.
Where can I buy AB00668106-01?
You can request a quote for AB00668106-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668106-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668106-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.