ChemDiv1_015044
TL;DR: ChemDiv1_015044 (CAS 403732-32-1) is a chemical compound with molecular formula C19H13BrClN5O2S and molecular weight 488.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_015044, DivK1c_003348, CDS1_002308, F0912-4199, N-(4-bromophenyl)-2-((5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
| Molecular Formula | C19H13BrClN5O2S |
|---|---|
| Molecular Weight | 488.97 g/mol |
| LogP | 4.2555 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.9662 |
| Heavy Atoms | 29 |
| Complexity | 1238.4321 |
Chemical Identifiers
| CAS Number | 403732-32-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl)Br |
Product Overview
ChemDiv1_015044 (CAS 403732-32-1), with molecular formula C19H13BrClN5O2S and molecular weight 488.97 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_015044
Property Insights of ChemDiv1_015044
The XLogP value of 4.2555 indicates that ChemDiv1_015044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_015044. Following Lipinski's Rule of Five, ChemDiv1_015044 has 2 hydrogen bond donor(s) and 5 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 ChemDiv1_015044?
The CAS number of ChemDiv1_015044 is 403732-32-1.
What is the molecular formula of ChemDiv1_015044?
The molecular formula of ChemDiv1_015044 is C19H13BrClN5O2S.
What is the molecular weight of ChemDiv1_015044?
The molecular weight of ChemDiv1_015044 is 488.97 g/mol.
Where can I buy ChemDiv1_015044?
You can request a quote for ChemDiv1_015044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015044?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.