BAS 02819994
TL;DR: BAS 02819994 (CAS 425676-82-0) is a chemical compound with molecular formula C23H18N4O5S and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02819994, AB00107282-01, N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide, N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{3-nitro-4-methoxybenzoyl}thiourea, 1-(5-Benzooxazol-2-yl-2-methyl-phenyl)-3-(4-methoxy-3-nitro-benzoyl)-thiourea
| Molecular Formula | C23H18N4O5S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 4.84682 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.0998 |
| Heavy Atoms | 33 |
| Complexity | 1365.8882 |
Chemical Identifiers
| CAS Number | 425676-82-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-] |
Product Overview
BAS 02819994 (CAS 425676-82-0), with molecular formula C23H18N4O5S and molecular weight 462.10 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of BAS 02819994
Property Insights of BAS 02819994
The XLogP value of 4.84682 indicates that BAS 02819994 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 02819994. Following Lipinski's Rule of Five, BAS 02819994 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 02819994?
The CAS number of BAS 02819994 is 425676-82-0.
What is the molecular formula of BAS 02819994?
The molecular formula of BAS 02819994 is C23H18N4O5S.
What is the molecular weight of BAS 02819994?
The molecular weight of BAS 02819994 is 462.10 g/mol.
Where can I buy BAS 02819994?
You can request a quote for BAS 02819994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02819994?
Yes, KEHONG BIO provides custom synthesis services for BAS 02819994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.