RefChem:1079096
TL;DR: RefChem:1079096 (CAS 55687-46-2) is a chemical compound with molecular formula C17H22N4O4 and molecular weight 346.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate
Also Known As: 5-25-17-00185 (Beilstein Handbook Reference), J1.575.078B, 24NH2PYRIMIDN,5(35MEO-4CO2IPR)BENZYL, 1-Methylethyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate, Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, 1-methylethyl ester
| Molecular Formula | C17H22N4O4 |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.1641 |
| Heavy Atoms | 25 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 55687-46-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC |
| InChIKey | FLEXBPIGXXHGPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1079096 (CAS 55687-46-2), with molecular formula C17H22N4O4 and molecular weight 346.16 g/mol. IUPAC: propan-2-yl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate.
Chemical Property Profile of RefChem:1079096
Property Insights of RefChem:1079096
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079096. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079096. Following Lipinski's Rule of Five, RefChem:1079096 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 RefChem:1079096?
The CAS number of RefChem:1079096 is 55687-46-2.
What is the molecular formula of RefChem:1079096?
The molecular formula of RefChem:1079096 is C17H22N4O4.
What is the molecular weight of RefChem:1079096?
The molecular weight of RefChem:1079096 is 346.16 g/mol.
Where can I buy RefChem:1079096?
You can request a quote for RefChem:1079096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079096?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.