![N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea structure](/static/products/3352/335213-98-4.webp)
N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea
TL;DR: N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea (CAS 335213-98-4) 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-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide
Also Known As: BAS 02818741, N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea, N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3,4-dimethoxybenzamide, N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide, 1-(3,4-Dimethoxy-benzoyl)-3-[4-(5,6-dimethyl-benzooxazol-2-yl)-phenyl]-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 | 1307.0284 |
Chemical Identifiers
| CAS Number | 335213-98-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea (CAS 335213-98-4), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea
Property Insights of N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea
The XLogP value of 5.25564 indicates that N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea 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 N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea. Following Lipinski's Rule of Five, N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea 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 N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea?
The CAS number of N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea is 335213-98-4.
What is the molecular formula of N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea?
The molecular formula of N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea is C25H23N3O4S.
What is the molecular weight of N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea?
The molecular weight of N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea is 461.14 g/mol.
Where can I buy N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea?
You can request a quote for N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxybenzoyl)-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.