AB00113693-01
TL;DR: AB00113693-01 (CAS 430469-59-3) is a chemical compound with molecular formula C21H20ClN3O3S and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
Also Known As: AB00113693-01, (2E)-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide, (E)-N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-ethoxy-3-methoxyphenyl)acrylamide, (2E)-N-[(2Z)-5-(4-chlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide, (2E)-N-{5-[(4-chlorophenyl)methyl](1,3,4-thiadiazol-2-yl)}-3-(4-ethoxy-3-metho xyphenyl)prop-2-enamide
| Molecular Formula | C21H20ClN3O3S |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 4.8415 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.0914 |
| Heavy Atoms | 29 |
| Complexity | 1002.6608 |
Chemical Identifiers
| CAS Number | 430469-59-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)OC |
Product Overview
AB00113693-01 (CAS 430469-59-3), with molecular formula C21H20ClN3O3S and molecular weight 429.09 g/mol. IUPAC: (E)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of AB00113693-01
Property Insights of AB00113693-01
The XLogP value of 4.8415 indicates that AB00113693-01 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 AB00113693-01. Following Lipinski's Rule of Five, AB00113693-01 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 AB00113693-01?
The CAS number of AB00113693-01 is 430469-59-3.
What is the molecular formula of AB00113693-01?
The molecular formula of AB00113693-01 is C21H20ClN3O3S.
What is the molecular weight of AB00113693-01?
The molecular weight of AB00113693-01 is 429.09 g/mol.
Where can I buy AB00113693-01?
You can request a quote for AB00113693-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113693-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113693-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.