ChemDiv3_004722
TL;DR: ChemDiv3_004722 (CAS 797795-74-5) is a chemical compound with molecular formula C15H16BrN3O2S and molecular weight 381.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: ChemDiv3_004722, IDI1_022632, BRD-A87054074-001-01-9, 4-(4-bromophenyl)-3-hydroxy-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-bromophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
| Molecular Formula | C15H16BrN3O2S |
|---|---|
| Molecular Weight | 381.01 g/mol |
| LogP | 3.2945 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.01465 |
| Heavy Atoms | 22 |
| Complexity | 764.085 |
Chemical Identifiers
| CAS Number | 797795-74-5 |
|---|---|
| SMILES | CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)Br)C(=O)N1 |
Product Overview
ChemDiv3_004722 (CAS 797795-74-5), with molecular formula C15H16BrN3O2S and molecular weight 381.01 g/mol. IUPAC: 4-(4-bromophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of ChemDiv3_004722
Property Insights of ChemDiv3_004722
The XLogP value of 3.2945 indicates that ChemDiv3_004722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004722. Following Lipinski's Rule of Five, ChemDiv3_004722 has 2 hydrogen bond donor(s) and 3 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 ChemDiv3_004722?
The CAS number of ChemDiv3_004722 is 797795-74-5.
What is the molecular formula of ChemDiv3_004722?
The molecular formula of ChemDiv3_004722 is C15H16BrN3O2S.
What is the molecular weight of ChemDiv3_004722?
The molecular weight of ChemDiv3_004722 is 381.01 g/mol.
Where can I buy ChemDiv3_004722?
You can request a quote for ChemDiv3_004722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004722?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.