BAS 02820006
TL;DR: BAS 02820006 (CAS 333739-22-3) is a chemical compound with molecular formula C22H15ClN4O5S and molecular weight 482.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02820006, N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide, N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-N'-{3-nitro-4-methoxybenzoyl}thiourea, 1-[4-(5-Chloro-benzooxazol-2-yl)-phenyl]-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-({[4-(5-chlorobenzoxazol-2-yl)phenyl]amino}thioxomethyl)(4-methoxy-3-nitroph enyl)carboxamide
| Molecular Formula | C22H15ClN4O5S |
|---|---|
| Molecular Weight | 482.05 g/mol |
| LogP | 5.1918 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.04517 |
| Heavy Atoms | 33 |
| Complexity | 1387.5726 |
Chemical Identifiers
| CAS Number | 333739-22-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-] |
Product Overview
BAS 02820006 (CAS 333739-22-3), with molecular formula C22H15ClN4O5S and molecular weight 482.05 g/mol. IUPAC: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of BAS 02820006
Property Insights of BAS 02820006
The XLogP value of 5.1918 indicates that BAS 02820006 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 02820006. Following Lipinski's Rule of Five, BAS 02820006 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02820006?
The CAS number of BAS 02820006 is 333739-22-3.
What is the molecular formula of BAS 02820006?
The molecular formula of BAS 02820006 is C22H15ClN4O5S.
What is the molecular weight of BAS 02820006?
The molecular weight of BAS 02820006 is 482.05 g/mol.
Where can I buy BAS 02820006?
You can request a quote for BAS 02820006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02820006?
Yes, KEHONG BIO provides custom synthesis services for BAS 02820006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.