ChemDiv1_016527
TL;DR: ChemDiv1_016527 (CAS 452054-53-4) is a chemical compound with molecular formula C20H15BrClN5O2S and molecular weight 502.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Also Known As: ChemDiv1_016527, F0917-4117, 2-((5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-(3-chloro-4-methylphenyl)acetamide, 2-[[5-(4-bromophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide, 2-{[5-(4-bromophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
| Molecular Formula | C20H15BrClN5O2S |
|---|---|
| Molecular Weight | 502.98 g/mol |
| LogP | 4.56392 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.98184 |
| Heavy Atoms | 30 |
| Complexity | 1303.0435 |
Chemical Identifiers
| CAS Number | 452054-53-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br)Cl |
Product Overview
ChemDiv1_016527 (CAS 452054-53-4), with molecular formula C20H15BrClN5O2S and molecular weight 502.98 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_016527
Property Insights of ChemDiv1_016527
The XLogP value of 4.56392 indicates that ChemDiv1_016527 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_016527. Following Lipinski's Rule of Five, ChemDiv1_016527 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_016527?
The CAS number of ChemDiv1_016527 is 452054-53-4.
What is the molecular formula of ChemDiv1_016527?
The molecular formula of ChemDiv1_016527 is C20H15BrClN5O2S.
What is the molecular weight of ChemDiv1_016527?
The molecular weight of ChemDiv1_016527 is 502.98 g/mol.
Where can I buy ChemDiv1_016527?
You can request a quote for ChemDiv1_016527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016527?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.