ChemDiv2_004445
TL;DR: ChemDiv2_004445 (CAS 461399-21-3) is a chemical compound with molecular formula C20H14ClN3O2S and molecular weight 395.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
Also Known As: ChemDiv2_004445, IDI1_003160, AP-970/41046190, 2-(4-chlorophenyl)sulfanyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide, 2-[(4-chlorophenyl)thio]-N-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide
| Molecular Formula | C20H14ClN3O2S |
|---|---|
| Molecular Weight | 395.05 g/mol |
| LogP | 5.274 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.04953 |
| Heavy Atoms | 27 |
| Complexity | 1062.796 |
Chemical Identifiers
| CAS Number | 461399-21-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)C3=NC4=C(O3)C=CC=N4 |
Product Overview
ChemDiv2_004445 (CAS 461399-21-3), with molecular formula C20H14ClN3O2S and molecular weight 395.05 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.
Chemical Property Profile of ChemDiv2_004445
Property Insights of ChemDiv2_004445
The XLogP value of 5.274 indicates that ChemDiv2_004445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004445. Following Lipinski's Rule of Five, ChemDiv2_004445 has 1 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 ChemDiv2_004445?
The CAS number of ChemDiv2_004445 is 461399-21-3.
What is the molecular formula of ChemDiv2_004445?
The molecular formula of ChemDiv2_004445 is C20H14ClN3O2S.
What is the molecular weight of ChemDiv2_004445?
The molecular weight of ChemDiv2_004445 is 395.05 g/mol.
Where can I buy ChemDiv2_004445?
You can request a quote for ChemDiv2_004445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004445?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.