US10173988, Compound B
TL;DR: US10173988, Compound B (CAS 670240-47-8) is a chemical compound with molecular formula C22H26ClN7O and molecular weight 439.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3-chloro-4-methylphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
Also Known As: US10173988, Compound B, N-(4-amino-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(3-chloro-4-methylphenyl)amine, (4-amino-6-{[4-(3-methoxyphenyl)piperazinyl]methyl}(1,3,5-triazin-2-yl))(3-chl oro-4-methylphenyl)amine, (4Z)-4-[(3-chloro-4-methylphenyl)imino]-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine, 2-N-(3-chloro-4-methylphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
| Molecular Formula | C22H26ClN7O |
|---|---|
| Molecular Weight | 439.19 g/mol |
| LogP | 3.49002 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.18875 |
| Heavy Atoms | 31 |
| Complexity | 1053.7794 |
Chemical Identifiers
| CAS Number | 670240-47-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC(=CC=C4)OC)Cl |
Product Overview
US10173988, Compound B (CAS 670240-47-8), with molecular formula C22H26ClN7O and molecular weight 439.19 g/mol. IUPAC: 2-N-(3-chloro-4-methylphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of US10173988, Compound B
Property Insights of US10173988, Compound B
The XLogP value of 3.49002 indicates that US10173988, Compound B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for US10173988, Compound B. Following Lipinski's Rule of Five, US10173988, Compound B has 2 hydrogen bond donor(s) and 8 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 US10173988, Compound B?
The CAS number of US10173988, Compound B is 670240-47-8.
What is the molecular formula of US10173988, Compound B?
The molecular formula of US10173988, Compound B is C22H26ClN7O.
What is the molecular weight of US10173988, Compound B?
The molecular weight of US10173988, Compound B is 439.19 g/mol.
Where can I buy US10173988, Compound B?
You can request a quote for US10173988, Compound B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for US10173988, Compound B?
Yes, KEHONG BIO provides custom synthesis services for US10173988, Compound B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.