J2.030.835D
TL;DR: J2.030.835D (CAS 190670-74-7) is a chemical compound with molecular formula C26H31F3N6OS and molecular weight 532.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methoxyphenyl)methyl]-2-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethylsulfanyl]pyrimidine-4,6-diamine
Also Known As: J2.030.835D, 4,6-Pyrimidinediamine, 5-((2-methoxyphenyl)methyl)-2-((2-(4-((3-(trifluoromethyl)phenyl)methyl)-1-piperazinyl)ethyl)thio)-, 2-[2-[4-[3-(Trifluoromethyl)benzyl]piperazino]ethylthio]-5-(2-methoxybenzyl)pyrimidine-4,6-diamine, 5-(2-Methoxy-benzyl)-2-{2-[4-(3-trifluoromethyl-benzyl)-piperazin-1-yl]-ethylsulfanyl}-pyrimidine-4,6-diamine, 5-(2-Methoxybenzyl)-2-((2-(4-(3-(trifluoromethyl)benzyl)piperazin-1-yl)ethyl)thio)pyrimidine-4,6-diamine
| Molecular Formula | C26H31F3N6OS |
|---|---|
| Molecular Weight | 532.22 g/mol |
| LogP | 4.1691 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.2232 |
| Heavy Atoms | 37 |
| Complexity | 1177.9198 |
Chemical Identifiers
| CAS Number | 190670-74-7 |
|---|---|
| SMILES | COC1=CC=CC=C1CC2=C(N=C(N=C2N)SCCN3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F)N |
Product Overview
J2.030.835D (CAS 190670-74-7), with molecular formula C26H31F3N6OS and molecular weight 532.22 g/mol. IUPAC: 5-[(2-methoxyphenyl)methyl]-2-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethylsulfanyl]pyrimidine-4,6-diamine.
Chemical Property Profile of J2.030.835D
Property Insights of J2.030.835D
The XLogP value of 4.1691 indicates that J2.030.835D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.030.835D. Following Lipinski's Rule of Five, J2.030.835D has 2 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 J2.030.835D?
The CAS number of J2.030.835D is 190670-74-7.
What is the molecular formula of J2.030.835D?
The molecular formula of J2.030.835D is C26H31F3N6OS.
What is the molecular weight of J2.030.835D?
The molecular weight of J2.030.835D is 532.22 g/mol.
Where can I buy J2.030.835D?
You can request a quote for J2.030.835D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.030.835D?
Yes, KEHONG BIO provides custom synthesis services for J2.030.835D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.