BAS 13120395
TL;DR: BAS 13120395 (CAS 369402-48-2) is a chemical compound with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine
Also Known As: BAS 13120395, N-{(E)-[(2,3-dimethylphenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-methylbenzenesulfonamide, 1-(2,3-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine, (E)-N'-(2,3-DIMETHYLPHENYL)-N-(4,6-DIMETHYLPYRIMIDIN-2-YL)-N''-(4-METHYLBENZENESULFONYL)GUANIDINE, (E)-N-(((2,3-dimethylphenyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-4-methylbenzenesulfonamide
| Molecular Formula | C22H25N5O2S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 4.2876 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.17288 |
| Heavy Atoms | 30 |
| Complexity | 1182.4476 |
Chemical Identifiers
| CAS Number | 369402-48-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/N=C(\NC2=CC=CC(=C2C)C)/NC3=NC(=CC(=N3)C)C |
Product Overview
BAS 13120395 (CAS 369402-48-2), with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol. IUPAC: 1-(2,3-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine.
Chemical Property Profile of BAS 13120395
Property Insights of BAS 13120395
The XLogP value of 4.2876 indicates that BAS 13120395 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13120395. Following Lipinski's Rule of Five, BAS 13120395 has 2 hydrogen bond donor(s) and 4 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 BAS 13120395?
The CAS number of BAS 13120395 is 369402-48-2.
What is the molecular formula of BAS 13120395?
The molecular formula of BAS 13120395 is C22H25N5O2S.
What is the molecular weight of BAS 13120395?
The molecular weight of BAS 13120395 is 423.17 g/mol.
Where can I buy BAS 13120395?
You can request a quote for BAS 13120395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13120395?
Yes, KEHONG BIO provides custom synthesis services for BAS 13120395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.