![2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- structure](/static/products/1114/111452-80-3.webp)
2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-
TL;DR: 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- (CAS 111452-80-3) is a chemical compound with molecular formula C18H26N4O2 and molecular weight 330.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-hexoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Also Known As: Benzylpyrimidine analog, J1.354.126D, 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-, 5-[(4-hexoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine, 5-[4-(Hexyloxy)-3-methoxybenzyl]pyrimidine-2,4-diamine
| Molecular Formula | C18H26N4O2 |
|---|---|
| Molecular Weight | 330.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.20557 |
| Heavy Atoms | 24 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 111452-80-3 |
|---|---|
| SMILES | CCCCCCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC |
| InChIKey | VAGDNGFPEWKWTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- (CAS 111452-80-3), with molecular formula C18H26N4O2 and molecular weight 330.21 g/mol. IUPAC: 5-[(4-hexoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-
Property Insights of 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-
The XLogP value of 3.3 indicates that 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- has 2 hydrogen bond donor(s) and 6 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 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-?
The CAS number of 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- is 111452-80-3.
What is the molecular formula of 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-?
The molecular formula of 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- is C18H26N4O2.
What is the molecular weight of 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-?
The molecular weight of 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- is 330.21 g/mol.
Where can I buy 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-?
You can request a quote for 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.