BAS 02820691
TL;DR: BAS 02820691 (CAS 333740-63-9) is a chemical compound with molecular formula C23H18ClN3O2S and molecular weight 435.08 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]-2-methylbenzamide
Also Known As: BAS 02820691, N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methylbenzamide, N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-(2-methylbenzoyl)thiourea, 1-[3-(5-Chloro-benzooxazol-2-yl)-2-methyl-phenyl]-3-(2-methyl-benzoyl)-thiourea
| Molecular Formula | C23H18ClN3O2S |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 5.89184 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.0808 |
| Heavy Atoms | 30 |
| Complexity | 1282.6798 |
Chemical Identifiers
| CAS Number | 333740-63-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl |
Product Overview
BAS 02820691 (CAS 333740-63-9), with molecular formula C23H18ClN3O2S and molecular weight 435.08 g/mol. IUPAC: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methylbenzamide.
Chemical Property Profile of BAS 02820691
Property Insights of BAS 02820691
The XLogP value of 5.89184 indicates that BAS 02820691 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02820691. Following Lipinski's Rule of Five, BAS 02820691 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02820691?
The CAS number of BAS 02820691 is 333740-63-9.
What is the molecular formula of BAS 02820691?
The molecular formula of BAS 02820691 is C23H18ClN3O2S.
What is the molecular weight of BAS 02820691?
The molecular weight of BAS 02820691 is 435.08 g/mol.
Where can I buy BAS 02820691?
You can request a quote for BAS 02820691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02820691?
Yes, KEHONG BIO provides custom synthesis services for BAS 02820691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.