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5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
TL;DR: 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CAS 397245-76-0) is a chemical compound with molecular formula C19H28N4O2 and molecular weight 344.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Also Known As: 5-[(5-heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine, J1.683.115H, 2,4-Pyrimidinediamine, 5-[[5-(heptyloxy)-2-methoxyphenyl]methyl]-, 5-(5-(heptyloxy)-2-methoxybenzyl)pyrimidine-2,4-diamine, 5-(5-Heptyloxy-2-methoxy-benzyl)-pyrimidine-2,4-diamine
| Molecular Formula | C19H28N4O2 |
|---|---|
| Molecular Weight | 344.22 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 344.22122 |
| Heavy Atoms | 25 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 397245-76-0 |
|---|---|
| SMILES | CCCCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N |
| InChIKey | XASTWVYEZMRCAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CAS 397245-76-0), with molecular formula C19H28N4O2 and molecular weight 344.22 g/mol. IUPAC: 5-[(5-heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Property Insights of 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
The XLogP value of 4.6 indicates that 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine 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 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine 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 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The CAS number of 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is 397245-76-0.
What is the molecular formula of 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The molecular formula of 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is C19H28N4O2.
What is the molecular weight of 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The molecular weight of 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is 344.22 g/mol.
Where can I buy 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
You can request a quote for 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(5-Heptoxy-2-methoxyphenyl)methyl]pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.