A2745/0116638
TL;DR: A2745/0116638 (CAS 380167-41-9) is a chemical compound with molecular formula C24H18N4O3S and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: A2745/0116638, 4-(4-nitrophenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-(4-nitrophenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-nitrophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-NITROPHENYL)-1,3-DIPHENYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
| Molecular Formula | C24H18N4O3S |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 5.2222 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.10995 |
| Heavy Atoms | 32 |
| Complexity | 1288.3411 |
Chemical Identifiers
| CAS Number | 380167-41-9 |
|---|---|
| SMILES | C1C(=O)NC2=C(C(S1)C3=CC=C(C=C3)[N+](=O)[O-])C(=NN2C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
A2745/0116638 (CAS 380167-41-9), with molecular formula C24H18N4O3S and molecular weight 442.11 g/mol. IUPAC: 4-(4-nitrophenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of A2745/0116638
Property Insights of A2745/0116638
The XLogP value of 5.2222 indicates that A2745/0116638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A2745/0116638. Following Lipinski's Rule of Five, A2745/0116638 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 A2745/0116638?
The CAS number of A2745/0116638 is 380167-41-9.
What is the molecular formula of A2745/0116638?
The molecular formula of A2745/0116638 is C24H18N4O3S.
What is the molecular weight of A2745/0116638?
The molecular weight of A2745/0116638 is 442.11 g/mol.
Where can I buy A2745/0116638?
You can request a quote for A2745/0116638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2745/0116638?
Yes, KEHONG BIO provides custom synthesis services for A2745/0116638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.