AL-281/42024038
TL;DR: AL-281/42024038 (CAS 664993-65-1) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
Also Known As: AL-281/42024038, 1-[3-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone, 1-[3-({[4-allyl-5-(1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone, 1-[3-({[4-allyl-5-(1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]thio}methyl)-4-methoxyphenyl]ethanone, 1-(3-(((4-allyl-5-(benzofuran-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-4-methoxyphenyl)ethanone
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 5.3808 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1192.6444 |
Chemical Identifiers
| CAS Number | 664993-65-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3 |
Product Overview
AL-281/42024038 (CAS 664993-65-1), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: 1-[3-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone.
Chemical Property Profile of AL-281/42024038
Property Insights of AL-281/42024038
The XLogP value of 5.3808 indicates that AL-281/42024038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AL-281/42024038. Following Lipinski's Rule of Five, AL-281/42024038 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AL-281/42024038?
The CAS number of AL-281/42024038 is 664993-65-1.
What is the molecular formula of AL-281/42024038?
The molecular formula of AL-281/42024038 is C23H21N3O3S.
What is the molecular weight of AL-281/42024038?
The molecular weight of AL-281/42024038 is 419.13 g/mol.
Where can I buy AL-281/42024038?
You can request a quote for AL-281/42024038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AL-281/42024038?
Yes, KEHONG BIO provides custom synthesis services for AL-281/42024038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.