AB00668049-01
TL;DR: AB00668049-01 (CAS 476459-79-7) is a chemical compound with molecular formula C19H16ClN3O3S and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
Also Known As: AB00668049-01, F0529-0195, (2E)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide, (E)-N-(5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide, (E)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
| Molecular Formula | C19H16ClN3O3S |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 4.5276 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.0601 |
| Heavy Atoms | 27 |
| Complexity | 987.8362 |
Chemical Identifiers
| CAS Number | 476459-79-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl)OC |
Product Overview
AB00668049-01 (CAS 476459-79-7), with molecular formula C19H16ClN3O3S and molecular weight 401.06 g/mol. IUPAC: (E)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of AB00668049-01
Property Insights of AB00668049-01
The XLogP value of 4.5276 indicates that AB00668049-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668049-01. Following Lipinski's Rule of Five, AB00668049-01 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 AB00668049-01?
The CAS number of AB00668049-01 is 476459-79-7.
What is the molecular formula of AB00668049-01?
The molecular formula of AB00668049-01 is C19H16ClN3O3S.
What is the molecular weight of AB00668049-01?
The molecular weight of AB00668049-01 is 401.06 g/mol.
Where can I buy AB00668049-01?
You can request a quote for AB00668049-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668049-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668049-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.