ChemDiv1_000113
TL;DR: ChemDiv1_000113 (CAS 189278-28-2) is a chemical compound with molecular formula C21H13BrN4OS and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
Also Known As: ChemDiv1_000113, BAS 00589767, AB00672875-01, 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-phenylpyridine-3,5-dicarbonitrile, 2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenylpyridine-3,5-dicarbonitrile
| Molecular Formula | C21H13BrN4OS |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 4.81166 |
| Topological Polar Surface Area | 103.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.99933 |
| Heavy Atoms | 28 |
| Complexity | 1116.373 |
Chemical Identifiers
| CAS Number | 189278-28-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N |
Product Overview
ChemDiv1_000113 (CAS 189278-28-2), with molecular formula C21H13BrN4OS and molecular weight 448.00 g/mol. IUPAC: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of ChemDiv1_000113
Property Insights of ChemDiv1_000113
The XLogP value of 4.81166 indicates that ChemDiv1_000113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000113. Following Lipinski's Rule of Five, ChemDiv1_000113 has 1 hydrogen bond donor(s) and 6 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_000113?
The CAS number of ChemDiv1_000113 is 189278-28-2.
What is the molecular formula of ChemDiv1_000113?
The molecular formula of ChemDiv1_000113 is C21H13BrN4OS.
What is the molecular weight of ChemDiv1_000113?
The molecular weight of ChemDiv1_000113 is 448.00 g/mol.
Where can I buy ChemDiv1_000113?
You can request a quote for ChemDiv1_000113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000113?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.