Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester
TL;DR: Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester (CAS 55687-48-4) is a chemical compound with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 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-PYRIMIDINYLMETHYL)-2,6-DIMETHOXY-, ETHYL ESTER, 4-(2,4-Diamino-5-pyrimidinylmethyl)-2,6-dimethoxybenzoic acid ethyl ester, ethyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate, 4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxybenzoic acid ethyl ester
| Molecular Formula | C16H20N4O4 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.14847 |
| Heavy Atoms | 24 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 55687-48-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC |
| InChIKey | VTYSSUAOJXDZSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester (CAS 55687-48-4), with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol. IUPAC: ethyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester
Property Insights of Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl 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-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester?
The CAS number of Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester is 55687-48-4.
What is the molecular formula of Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester?
The molecular formula of Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester is C16H20N4O4.
What is the molecular weight of Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester?
The molecular weight of Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester is 332.15 g/mol.
Where can I buy Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester?
You can request a quote for Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl 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-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.