A2874/0121101
TL;DR: A2874/0121101 (CAS 488121-21-7) is a chemical compound with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: A2874/0121101, 4-(benzo[d][1,3]dioxol-5-yl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-(1,3-benzodioxol-5-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(1,3-benzodioxol-5-yl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(2H-1,3-BENZODIOXOL-5-YL)-1,3-DIPHENYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
| Molecular Formula | C25H19N3O3S |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 5.0427 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.11472 |
| Heavy Atoms | 32 |
| Complexity | 1305.024 |
Chemical Identifiers
| CAS Number | 488121-21-7 |
|---|---|
| SMILES | C1C(=O)NC2=C(C(S1)C3=CC4=C(C=C3)OCO4)C(=NN2C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
A2874/0121101 (CAS 488121-21-7), with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of A2874/0121101
Property Insights of A2874/0121101
The XLogP value of 5.0427 indicates that A2874/0121101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A2874/0121101. Following Lipinski's Rule of Five, A2874/0121101 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2874/0121101?
The CAS number of A2874/0121101 is 488121-21-7.
What is the molecular formula of A2874/0121101?
The molecular formula of A2874/0121101 is C25H19N3O3S.
What is the molecular weight of A2874/0121101?
The molecular weight of A2874/0121101 is 441.11 g/mol.
Where can I buy A2874/0121101?
You can request a quote for A2874/0121101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2874/0121101?
Yes, KEHONG BIO provides custom synthesis services for A2874/0121101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.