![5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine structure](/static/products/2134/21346-72-5.webp)
5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine
TL;DR: 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine (CAS 21346-72-5) is a chemical compound with molecular formula C13H15ClN6O3 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(2-chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine
Also Known As: 5-[3-(2-chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine
| Molecular Formula | C13H15ClN6O3 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.08942 |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 21346-72-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCCCC2=C(N=C(N=C2N)N)N |
| InChIKey | OBJMJAQIFIOIPF-UHFFFAOYSA-N |
Product Overview
5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine (CAS 21346-72-5), with molecular formula C13H15ClN6O3 and molecular weight 338.09 g/mol. IUPAC: 5-[3-(2-chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine.
Chemical Property Profile of 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine
Property Insights of 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine. The TPSA of 159.0 Ų indicates high polarity, suggesting 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine has 3 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 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine?
The CAS number of 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine is 21346-72-5.
What is the molecular formula of 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine?
The molecular formula of 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine is C13H15ClN6O3.
What is the molecular weight of 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine?
The molecular weight of 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine is 338.09 g/mol.
Where can I buy 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine?
You can request a quote for 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(2-Chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.