5-25-13-00440 (Beilstein Handbook Reference)
TL;DR: 5-25-13-00440 (Beilstein Handbook Reference) (CAS 55687-96-2) is a chemical compound with molecular formula C18H26N4O3 and molecular weight 346.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]pentan-3-ol
Also Known As: 5-25-13-00440 (Beilstein Handbook Reference), Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-alpha,alpha-diethyl-2,6-dimethoxy-, 4-((2,4-Diamino-5-pyrimidinyl)methyl)-alpha,alpha-diethyl-2,6-dimethoxybenzenemethanol, 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]pentan-3-ol, 3-{4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl}pentan-3-ol
| Molecular Formula | C18H26N4O3 |
|---|---|
| Molecular Weight | 346.20 g/mol |
| LogP | 2.2566 |
| Topological Polar Surface Area | 116.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.2005 |
| Heavy Atoms | 25 |
| Complexity | 720.0913 |
Chemical Identifiers
| CAS Number | 55687-96-2 |
|---|---|
| SMILES | CCC(CC)(C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC)O |
Product Overview
5-25-13-00440 (Beilstein Handbook Reference) (CAS 55687-96-2), with molecular formula C18H26N4O3 and molecular weight 346.20 g/mol. IUPAC: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]pentan-3-ol.
Chemical Property Profile of 5-25-13-00440 (Beilstein Handbook Reference)
Property Insights of 5-25-13-00440 (Beilstein Handbook Reference)
The XLogP value of 2.2566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-13-00440 (Beilstein Handbook Reference). The TPSA of 116.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-13-00440 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-13-00440 (Beilstein Handbook Reference) 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 5-25-13-00440 (Beilstein Handbook Reference)?
The CAS number of 5-25-13-00440 (Beilstein Handbook Reference) is 55687-96-2.
What is the molecular formula of 5-25-13-00440 (Beilstein Handbook Reference)?
The molecular formula of 5-25-13-00440 (Beilstein Handbook Reference) is C18H26N4O3.
What is the molecular weight of 5-25-13-00440 (Beilstein Handbook Reference)?
The molecular weight of 5-25-13-00440 (Beilstein Handbook Reference) is 346.20 g/mol.
Where can I buy 5-25-13-00440 (Beilstein Handbook Reference)?
You can request a quote for 5-25-13-00440 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-13-00440 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-13-00440 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.