BAS 02818654
TL;DR: BAS 02818654 (CAS 335213-68-8) is a chemical compound with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxybenzamide
Also Known As: BAS 02818654, N-(3,4-dimethoxybenzoyl)-N'-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiourea, N-{[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3,4-dimethoxybenzamide, N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxybenzamide, 1-(3,4-Dimethoxy-benzoyl)-3-[2-(2,4-dimethyl-phenyl)-benzooxazol-5-yl]-thiourea
| Molecular Formula | C25H23N3O4S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 5.25564 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.14093 |
| Heavy Atoms | 33 |
| Complexity | 1363.2784 |
Chemical Identifiers
| CAS Number | 335213-68-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)C |
Product Overview
BAS 02818654 (CAS 335213-68-8), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of BAS 02818654
Property Insights of BAS 02818654
The XLogP value of 5.25564 indicates that BAS 02818654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02818654. Following Lipinski's Rule of Five, BAS 02818654 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 02818654?
The CAS number of BAS 02818654 is 335213-68-8.
What is the molecular formula of BAS 02818654?
The molecular formula of BAS 02818654 is C25H23N3O4S.
What is the molecular weight of BAS 02818654?
The molecular weight of BAS 02818654 is 461.14 g/mol.
Where can I buy BAS 02818654?
You can request a quote for BAS 02818654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02818654?
Yes, KEHONG BIO provides custom synthesis services for BAS 02818654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.