ChemDiv1_006394
TL;DR: ChemDiv1_006394 (CAS 333413-36-8) is a chemical compound with molecular formula C21H12ClN3O2S and molecular weight 405.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_006394, ksc-8-50, ksc-8-50-110428, KUC104269N-02, BAS 02568859
| Molecular Formula | C21H12ClN3O2S |
|---|---|
| Molecular Weight | 405.03 g/mol |
| LogP | 6.0102 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.03387 |
| Heavy Atoms | 28 |
| Complexity | 1309.0208 |
Chemical Identifiers
| CAS Number | 333413-36-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC=N5)Cl |
Product Overview
ChemDiv1_006394 (CAS 333413-36-8), with molecular formula C21H12ClN3O2S and molecular weight 405.03 g/mol. IUPAC: 3-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_006394
Property Insights of ChemDiv1_006394
The XLogP value of 6.0102 indicates that ChemDiv1_006394 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 ChemDiv1_006394. Following Lipinski's Rule of Five, ChemDiv1_006394 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 ChemDiv1_006394?
The CAS number of ChemDiv1_006394 is 333413-36-8.
What is the molecular formula of ChemDiv1_006394?
The molecular formula of ChemDiv1_006394 is C21H12ClN3O2S.
What is the molecular weight of ChemDiv1_006394?
The molecular weight of ChemDiv1_006394 is 405.03 g/mol.
Where can I buy ChemDiv1_006394?
You can request a quote for ChemDiv1_006394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006394?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.