AN-648/41078465
TL;DR: AN-648/41078465 (CAS 445429-60-7) is a chemical compound with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[(4E)-3-methyl-5-oxo-4-[(4-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]-1,3-thiazole-5-carboxylate
Also Known As: AN-648/41078465, (E)-ethyl 4-methyl-2-(3-methyl-5-oxo-4-(4-(prop-2-yn-1-yloxy)benzylidene)-4,5-dihydro-1H-pyrazol-1-yl)thiazole-5-carboxylate, 4-Methyl-2-{3-methyl-5-oxo-4-[1-(4-prop-2-ynyloxy-phenyl)-meth-(E)-ylidene]-4,5-dihydro-pyrazol-1-yl}-thiazole-5-carboxylic acid ethyl ester, ethyl 4-methyl-2-[(4E)-3-methyl-5-oxo-4-[(4-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-{(4E)-3-methyl-5-oxo-4-[4-(prop-2-yn-1-yloxy)benzylidene]-4,5-dihydro-1H-pyrazol-1-yl}-1,3-thiazole-5-carboxylate
| Molecular Formula | C21H19N3O4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 3.44632 |
| Topological Polar Surface Area | 81.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.10962 |
| Heavy Atoms | 29 |
| Complexity | 1044.8688 |
Chemical Identifiers
| CAS Number | 445429-60-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC#C)/C(=N2)C)C |
Product Overview
AN-648/41078465 (CAS 445429-60-7), with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol. IUPAC: ethyl 4-methyl-2-[(4E)-3-methyl-5-oxo-4-[(4-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AN-648/41078465
Property Insights of AN-648/41078465
The XLogP value of 3.44632 indicates that AN-648/41078465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/41078465. Following Lipinski's Rule of Five, AN-648/41078465 has 0 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 AN-648/41078465?
The CAS number of AN-648/41078465 is 445429-60-7.
What is the molecular formula of AN-648/41078465?
The molecular formula of AN-648/41078465 is C21H19N3O4S.
What is the molecular weight of AN-648/41078465?
The molecular weight of AN-648/41078465 is 409.11 g/mol.
Where can I buy AN-648/41078465?
You can request a quote for AN-648/41078465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41078465?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41078465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.