BAS 02760468
TL;DR: BAS 02760468 (CAS 335210-12-3) is a chemical compound with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitrobenzamide
Also Known As: BAS 02760468, N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitrobenzamide, N-{[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-nitrobenzamide, 1-[2-Methyl-3-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(4-nitro-benzoyl)-thiourea, N-{4-nitrobenzoyl}-N'-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea
| Molecular Formula | C23H18N4O4S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 5.14664 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1049 |
| Heavy Atoms | 32 |
| Complexity | 1362.4415 |
Chemical Identifiers
| CAS Number | 335210-12-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
BAS 02760468 (CAS 335210-12-3), with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol. IUPAC: N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of BAS 02760468
Property Insights of BAS 02760468
The XLogP value of 5.14664 indicates that BAS 02760468 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02760468. Following Lipinski's Rule of Five, BAS 02760468 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02760468?
The CAS number of BAS 02760468 is 335210-12-3.
What is the molecular formula of BAS 02760468?
The molecular formula of BAS 02760468 is C23H18N4O4S.
What is the molecular weight of BAS 02760468?
The molecular weight of BAS 02760468 is 446.10 g/mol.
Where can I buy BAS 02760468?
You can request a quote for BAS 02760468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02760468?
Yes, KEHONG BIO provides custom synthesis services for BAS 02760468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.