1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea
TL;DR: 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea (CAS 54948-22-0) is a chemical compound with molecular formula C13H17N4O2P and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-phenylurea
Also Known As: 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea, 5-20-01-00102 (Beilstein Handbook Reference), N-(2-(Diethylenediamidophosphonyl)vinyl)-N'-phenylurea, Phosphine oxide, bis(1-aziridinyl)((3-phenylureido)vinyl)-, Urea, 1-(2-(bis(1-aziridinyl)phosphinyl)vinyl)-3-phenyl-
| Molecular Formula | C13H17N4O2P |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.10892 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 54948-22-0 |
|---|---|
| SMILES | C1CN1P(=O)(C=CNC(=O)NC2=CC=CC=C2)N3CC3 |
| InChIKey | LDSBLKAMJYFFIF-UHFFFAOYSA-N |
Product Overview
1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea (CAS 54948-22-0), with molecular formula C13H17N4O2P and molecular weight 292.11 g/mol. IUPAC: 1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-phenylurea.
Chemical Property Profile of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea
Property Insights of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea 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 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea?
The CAS number of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea is 54948-22-0.
What is the molecular formula of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea?
The molecular formula of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea is C13H17N4O2P.
What is the molecular weight of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea?
The molecular weight of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea is 292.11 g/mol.
Where can I buy 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea?
You can request a quote for 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.