Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester
TL;DR: Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester (CAS 55687-47-3) is a chemical compound with molecular formula C18H24N4O4 and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate
Also Known As: 5-25-17-00185 (Beilstein Handbook Reference), Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester, Butyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate, Butyl 4-((2,4-diaminopyrimidin-5-yl)methyl)-2,6-dimethoxybenzoate, butyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate
| Molecular Formula | C18H24N4O4 |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 2.2059 |
| Topological Polar Surface Area | 122.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.17975 |
| Heavy Atoms | 26 |
| Complexity | 754.7767 |
Chemical Identifiers
| CAS Number | 55687-47-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC |
Product Overview
Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester (CAS 55687-47-3), with molecular formula C18H24N4O4 and molecular weight 360.18 g/mol. IUPAC: butyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester
Property Insights of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester
The XLogP value of 2.2059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester. The TPSA of 122.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester 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 Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester?
The CAS number of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester is 55687-47-3.
What is the molecular formula of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester?
The molecular formula of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester is C18H24N4O4.
What is the molecular weight of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester?
The molecular weight of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester is 360.18 g/mol.
Where can I buy Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester?
You can request a quote for Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.