硝酸庚酯
TL;DR: 硝酸庚酯 (CAS 20633-12-9) is a chemical compound with molecular formula C11H9BrCl2N4 and molecular weight 345.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸庚酯
6-(bromomethyl)-5-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
Also Known As: 6-(bromomethyl)-5-(3,4-dichlorophenyl)pyrimidine-2,4-diamine, 2,4-Diamino-5-(3,4-dichlorphenyl)-pyrimidin-6-carbaldehyd, 6-bromomethyl-5-(3,4-dichloro-phenyl)-pyrimidine-2,4-diamine
| Molecular Formula | C11H9BrCl2N4 |
|---|---|
| Molecular Weight | 345.94 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.93875 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 20633-12-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)CBr)Cl)Cl |
| InChIKey | OJDUYMMGBLZOBQ-UHFFFAOYSA-N |
Product Overview
硝酸庚酯 (CAS 20633-12-9), with molecular formula C11H9BrCl2N4 and molecular weight 345.94 g/mol. IUPAC: 6-(bromomethyl)-5-(3,4-dichlorophenyl)pyrimidine-2,4-diamine.
Chemical Property Profile of 硝酸庚酯
Property Insights of 硝酸庚酯
The XLogP value of 3.0 indicates that 硝酸庚酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝酸庚酯. Following Lipinski's Rule of Five, 硝酸庚酯 has 2 hydrogen bond donor(s) and 4 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 硝酸庚酯?
The CAS number of 硝酸庚酯 is 20633-12-9.
What is the molecular formula of 硝酸庚酯?
The molecular formula of 硝酸庚酯 is C11H9BrCl2N4.
What is the molecular weight of 硝酸庚酯?
The molecular weight of 硝酸庚酯 is 345.94 g/mol.
Where can I buy 硝酸庚酯?
You can request a quote for 硝酸庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸庚酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.