BAS 02820105
TL;DR: BAS 02820105 (CAS 425677-27-6) is a chemical compound with molecular formula C22H15FN4O5S and molecular weight 466.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02820105, N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide, N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-N'-{3-nitro-4-methoxybenzoyl}thiourea, 1-[2-(3-Fluoro-phenyl)-benzooxazol-5-yl]-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-({[2-(3-fluorophenyl)benzoxazol-5-yl]amino}thioxomethyl)(4-methoxy-3-nitroph enyl)carboxamide
| Molecular Formula | C22H15FN4O5S |
|---|---|
| Molecular Weight | 466.07 g/mol |
| LogP | 4.6775 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.0747 |
| Heavy Atoms | 33 |
| Complexity | 1404.8226 |
Chemical Identifiers
| CAS Number | 425677-27-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F)[N+](=O)[O-] |
Product Overview
BAS 02820105 (CAS 425677-27-6), with molecular formula C22H15FN4O5S and molecular weight 466.07 g/mol. IUPAC: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of BAS 02820105
Property Insights of BAS 02820105
The XLogP value of 4.6775 indicates that BAS 02820105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02820105. Following Lipinski's Rule of Five, BAS 02820105 has 2 hydrogen bond donor(s) and 7 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 BAS 02820105?
The CAS number of BAS 02820105 is 425677-27-6.
What is the molecular formula of BAS 02820105?
The molecular formula of BAS 02820105 is C22H15FN4O5S.
What is the molecular weight of BAS 02820105?
The molecular weight of BAS 02820105 is 466.07 g/mol.
Where can I buy BAS 02820105?
You can request a quote for BAS 02820105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02820105?
Yes, KEHONG BIO provides custom synthesis services for BAS 02820105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.