C23H21N5O3S
TL;DR: C23H21N5O3S (CAS 335213-59-7) is a chemical compound with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Also Known As: BAS 02818609, N-(3,4-dimethoxybenzoyl)-N'-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea, 3,4-dimethoxy-N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide, 3,4-dimethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide, 1-(3,4-Dimethoxy-benzoyl)-3-(2-p-tolyl-2H-benzotriazol-5-yl)-thiourea
| Molecular Formula | C23H21N5O3S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 3.87292 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.1365 |
| Heavy Atoms | 32 |
| Complexity | 1300.9883 |
Chemical Identifiers
| CAS Number | 335213-59-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
C23H21N5O3S (CAS 335213-59-7), with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol. IUPAC: 3,4-dimethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of C23H21N5O3S
Property Insights of C23H21N5O3S
The XLogP value of 3.87292 indicates that C23H21N5O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H21N5O3S. Following Lipinski's Rule of Five, C23H21N5O3S has 2 hydrogen bond donor(s) and 6 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 C23H21N5O3S?
The CAS number of C23H21N5O3S is 335213-59-7.
What is the molecular formula of C23H21N5O3S?
The molecular formula of C23H21N5O3S is C23H21N5O3S.
What is the molecular weight of C23H21N5O3S?
The molecular weight of C23H21N5O3S is 447.14 g/mol.
Where can I buy C23H21N5O3S?
You can request a quote for C23H21N5O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H21N5O3S?
Yes, KEHONG BIO provides custom synthesis services for C23H21N5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.