ChemDiv1_015000
TL;DR: ChemDiv1_015000 (CAS 403732-28-5) is a chemical compound with molecular formula C19H12BrClFN5O2S and molecular weight 506.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_015000, DivK1c_003304, CDS1_002264, AB00672891-01, F0912-4193
| Molecular Formula | C19H12BrClFN5O2S |
|---|---|
| Molecular Weight | 506.96 g/mol |
| LogP | 4.3946 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.95676 |
| Heavy Atoms | 30 |
| Complexity | 1308.7715 |
Chemical Identifiers
| CAS Number | 403732-28-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F)Cl |
Product Overview
ChemDiv1_015000 (CAS 403732-28-5), with molecular formula C19H12BrClFN5O2S and molecular weight 506.96 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_015000
Property Insights of ChemDiv1_015000
The XLogP value of 4.3946 indicates that ChemDiv1_015000 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_015000. Following Lipinski's Rule of Five, ChemDiv1_015000 has 2 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 ChemDiv1_015000?
The CAS number of ChemDiv1_015000 is 403732-28-5.
What is the molecular formula of ChemDiv1_015000?
The molecular formula of ChemDiv1_015000 is C19H12BrClFN5O2S.
What is the molecular weight of ChemDiv1_015000?
The molecular weight of ChemDiv1_015000 is 506.96 g/mol.
Where can I buy ChemDiv1_015000?
You can request a quote for ChemDiv1_015000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015000?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.