DHFR inhibitor
TL;DR: DHFR inhibitor (CAS 55687-91-7) is a chemical compound with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]propan-2-ol
Also Known As: DHFR inhibitor, Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-, 5-25-13-00440 (Beilstein Handbook Reference), 2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]propan-2-ol, 2,4-Pyrimidinediamine, 5-(4-(1-hydroxy-1-methylethyl)-3,5-dimethoxybenzyl)-
| Molecular Formula | C16H22N4O3 |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.1692 |
| Heavy Atoms | 23 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 55687-91-7 |
|---|---|
| SMILES | CC(C)(C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC)O |
| InChIKey | ZEHBWBDRLQCJBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DHFR inhibitor (CAS 55687-91-7), with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol. IUPAC: 2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]propan-2-ol.
Chemical Property Profile of DHFR inhibitor
Property Insights of DHFR inhibitor
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DHFR inhibitor. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DHFR inhibitor. Following Lipinski's Rule of Five, DHFR inhibitor has 3 hydrogen bond donor(s) and 7 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 DHFR inhibitor?
The CAS number of DHFR inhibitor is 55687-91-7.
What is the molecular formula of DHFR inhibitor?
The molecular formula of DHFR inhibitor is C16H22N4O3.
What is the molecular weight of DHFR inhibitor?
The molecular weight of DHFR inhibitor is 318.17 g/mol.
Where can I buy DHFR inhibitor?
You can request a quote for DHFR inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DHFR inhibitor?
Yes, KEHONG BIO provides custom synthesis services for DHFR inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.