BAS 12533967
TL;DR: BAS 12533967 (CAS 827005-18-5) is a chemical compound with molecular formula C16H22ClN7 and molecular weight 347.16 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-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
Also Known As: BAS 12533967, N-(3-chloro-4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine, {4-amino-6-[(4-methylpiperazinyl)methyl](1,3,5-triazin-2-yl)}(3-chloro-4-methy lphenyl)amine, 2-N-(3-chloro-4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine, N-{4-AMINO-6-[(4-METHYLPIPERAZINO)METHYL]-1,3,5-TRIAZIN-2-YL}-N-(3-CHLORO-4-METHYLPHENYL)AMINE
| Molecular Formula | C16H22ClN7 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 1.90662 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.16254 |
| Heavy Atoms | 24 |
| Complexity | 713.56726 |
Chemical Identifiers
| CAS Number | 827005-18-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C)Cl |
Product Overview
BAS 12533967 (CAS 827005-18-5), with molecular formula C16H22ClN7 and molecular weight 347.16 g/mol. IUPAC: 2-N-(3-chloro-4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 12533967
Property Insights of BAS 12533967
The XLogP value of 1.90662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12533967. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12533967. Following Lipinski's Rule of Five, BAS 12533967 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 12533967?
The CAS number of BAS 12533967 is 827005-18-5.
What is the molecular formula of BAS 12533967?
The molecular formula of BAS 12533967 is C16H22ClN7.
What is the molecular weight of BAS 12533967?
The molecular weight of BAS 12533967 is 347.16 g/mol.
Where can I buy BAS 12533967?
You can request a quote for BAS 12533967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12533967?
Yes, KEHONG BIO provides custom synthesis services for BAS 12533967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.