Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-
TL;DR: Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl- (CAS 64440-99-9) is a chemical compound with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(aziridin-1-yl)-5-nitro-2-phenylpyrimidine
Also Known As: 4,6-Bis(1-aziridinyl)-5-nitro-2-phenylpyrimidine, Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-, 5-Nitro-4,6-bis-ethyleneimino-2-phenylpyrimidine, 4,6-bis(aziridin-1-yl)-5-nitro-2-phenylpyrimidine, 4-25-00-03001 (Beilstein Handbook Reference)
| Molecular Formula | C14H13N5O2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.10693 |
| Heavy Atoms | 21 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 64440-99-9 |
|---|---|
| SMILES | C1CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N4CC4)[N+](=O)[O-] |
| InChIKey | HFVQCSVHXWJJLF-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl- (CAS 64440-99-9), with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol. IUPAC: 4,6-bis(aziridin-1-yl)-5-nitro-2-phenylpyrimidine.
Chemical Property Profile of Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-
Property Insights of Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-. Following Lipinski's Rule of Five, Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl- has 0 hydrogen bond donor(s) and 6 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 Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-?
The CAS number of Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl- is 64440-99-9.
What is the molecular formula of Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-?
The molecular formula of Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl- is C14H13N5O2.
What is the molecular weight of Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-?
The molecular weight of Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl- is 283.11 g/mol.
Where can I buy Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-?
You can request a quote for Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.