BAS 12533968
TL;DR: BAS 12533968 (CAS 827005-23-2) is a chemical compound with molecular formula C17H24ClN7 and molecular weight 361.18 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-ethylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
Also Known As: BAS 12533968, N-(3-chloro-4-methylphenyl)-6-((4-ethyl-1-piperazinyl)methyl)-1,3,5-triazine-2,4-diamine, N-(3-chloro-4-methylphenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine, {4-amino-6-[(4-ethylpiperazinyl)methyl](1,3,5-triazin-2-yl)}(3-chloro-4-methyl phenyl)amine, 2-N-(3-chloro-4-methylphenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
| Molecular Formula | C17H24ClN7 |
|---|---|
| Molecular Weight | 361.18 g/mol |
| LogP | 2.29672 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.17816 |
| Heavy Atoms | 25 |
| Complexity | 728.93146 |
Chemical Identifiers
| CAS Number | 827005-23-2 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC(=C(C=C3)C)Cl)N |
Product Overview
BAS 12533968 (CAS 827005-23-2), with molecular formula C17H24ClN7 and molecular weight 361.18 g/mol. IUPAC: 2-N-(3-chloro-4-methylphenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 12533968
Property Insights of BAS 12533968
The XLogP value of 2.29672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12533968. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12533968. Following Lipinski's Rule of Five, BAS 12533968 has 2 hydrogen bond donor(s) and 7 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 12533968?
The CAS number of BAS 12533968 is 827005-23-2.
What is the molecular formula of BAS 12533968?
The molecular formula of BAS 12533968 is C17H24ClN7.
What is the molecular weight of BAS 12533968?
The molecular weight of BAS 12533968 is 361.18 g/mol.
Where can I buy BAS 12533968?
You can request a quote for BAS 12533968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12533968?
Yes, KEHONG BIO provides custom synthesis services for BAS 12533968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.