BAS 12533950
TL;DR: BAS 12533950 (CAS 827004-34-2) is a chemical compound with molecular formula C16H23N7O and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3-methoxyphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
Also Known As: BAS 12533950, N-(3-methoxyphenyl)-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-methoxyphenyl) amine, 2-N-(3-methoxyphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine, N2-(3-methoxyphenyl)-6-((4-methylpiperazin-1-yl)methyl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C16H23N7O |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 0.9534 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1964 |
| Heavy Atoms | 24 |
| Complexity | 685.87616 |
Chemical Identifiers
| CAS Number | 827004-34-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC(=CC=C3)OC)N |
Product Overview
BAS 12533950 (CAS 827004-34-2), with molecular formula C16H23N7O and molecular weight 329.20 g/mol. IUPAC: 2-N-(3-methoxyphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 12533950
Property Insights of BAS 12533950
The XLogP value of 0.9534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12533950. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12533950. Following Lipinski's Rule of Five, BAS 12533950 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 BAS 12533950?
The CAS number of BAS 12533950 is 827004-34-2.
What is the molecular formula of BAS 12533950?
The molecular formula of BAS 12533950 is C16H23N7O.
What is the molecular weight of BAS 12533950?
The molecular weight of BAS 12533950 is 329.20 g/mol.
Where can I buy BAS 12533950?
You can request a quote for BAS 12533950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12533950?
Yes, KEHONG BIO provides custom synthesis services for BAS 12533950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.