4T-0899
TL;DR: 4T-0899 (CAS 685107-31-7) is a chemical compound with molecular formula C28H27N7O2S and molecular weight 525.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-2-(4-benzhydrylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
Also Known As: 4T-0899, 2-(4-benzhydrylpiperazino)-5-(phenylsulfonyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-ylamine, 5-(benzenesulfonyl)-2-(4-benzhydrylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine, 5-(benzenesulfonyl)-2-[4-(diphenylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine, 2-(4-BENZHYDRYLPIPERAZINO)-5-(PHENYLSULFONYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-AMINE
| Molecular Formula | C28H27N7O2S |
|---|---|
| Molecular Weight | 525.19 g/mol |
| LogP | 3.4509 |
| Topological Polar Surface Area | 109.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.1947 |
| Heavy Atoms | 38 |
| Complexity | 1612.1254 |
Chemical Identifiers
| CAS Number | 685107-31-7 |
|---|---|
| SMILES | C1CN(CCN1C2=NN3C=C(C(=NC3=N2)S(=O)(=O)C4=CC=CC=C4)N)C(C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
4T-0899 (CAS 685107-31-7), with molecular formula C28H27N7O2S and molecular weight 525.19 g/mol. IUPAC: 5-(benzenesulfonyl)-2-(4-benzhydrylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine.
Chemical Property Profile of 4T-0899
Property Insights of 4T-0899
The XLogP value of 3.4509 indicates that 4T-0899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4T-0899. Following Lipinski's Rule of Five, 4T-0899 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4T-0899?
The CAS number of 4T-0899 is 685107-31-7.
What is the molecular formula of 4T-0899?
The molecular formula of 4T-0899 is C28H27N7O2S.
What is the molecular weight of 4T-0899?
The molecular weight of 4T-0899 is 525.19 g/mol.
Where can I buy 4T-0899?
You can request a quote for 4T-0899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4T-0899?
Yes, KEHONG BIO provides custom synthesis services for 4T-0899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.