AL-281/41057356
TL;DR: AL-281/41057356 (CAS 442566-64-5) is a chemical compound with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: AL-281/41057356, A2906/0122484, 1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
| Molecular Formula | C27H25N3O4S |
|---|---|
| Molecular Weight | 487.16 g/mol |
| LogP | 5.3398 |
| Topological Polar Surface Area | 74.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.1566 |
| Heavy Atoms | 35 |
| Complexity | 1330.8615 |
Chemical Identifiers
| CAS Number | 442566-64-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
AL-281/41057356 (CAS 442566-64-5), with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol. IUPAC: 1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of AL-281/41057356
Property Insights of AL-281/41057356
The XLogP value of 5.3398 indicates that AL-281/41057356 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AL-281/41057356. Following Lipinski's Rule of Five, AL-281/41057356 has 1 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-281/41057356?
The CAS number of AL-281/41057356 is 442566-64-5.
What is the molecular formula of AL-281/41057356?
The molecular formula of AL-281/41057356 is C27H25N3O4S.
What is the molecular weight of AL-281/41057356?
The molecular weight of AL-281/41057356 is 487.16 g/mol.
Where can I buy AL-281/41057356?
You can request a quote for AL-281/41057356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AL-281/41057356?
Yes, KEHONG BIO provides custom synthesis services for AL-281/41057356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.