BAS 02819966
TL;DR: BAS 02819966 (CAS 333739-16-5) is a chemical compound with molecular formula C23H17ClN4O5S and molecular weight 496.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02819966, N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{3-nitro-4-methoxybenzoyl}thiourea, N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide, N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide, N-((3-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide
| Molecular Formula | C23H17ClN4O5S |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | 5.50022 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.06082 |
| Heavy Atoms | 34 |
| Complexity | 1452.8273 |
Chemical Identifiers
| CAS Number | 333739-16-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl |
Product Overview
BAS 02819966 (CAS 333739-16-5), with molecular formula C23H17ClN4O5S and molecular weight 496.06 g/mol. IUPAC: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of BAS 02819966
Property Insights of BAS 02819966
The XLogP value of 5.50022 indicates that BAS 02819966 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 02819966. Following Lipinski's Rule of Five, BAS 02819966 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 02819966?
The CAS number of BAS 02819966 is 333739-16-5.
What is the molecular formula of BAS 02819966?
The molecular formula of BAS 02819966 is C23H17ClN4O5S.
What is the molecular weight of BAS 02819966?
The molecular weight of BAS 02819966 is 496.06 g/mol.
Where can I buy BAS 02819966?
You can request a quote for BAS 02819966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02819966?
Yes, KEHONG BIO provides custom synthesis services for BAS 02819966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.