1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea
TL;DR: 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea (CAS 54948-28-6) is a chemical compound with molecular formula C13H16IN4O2P and molecular weight 418.01 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-(4-iodophenyl)urea
Also Known As: 1-[2-[Bis phosphinyl]vinyl]-3- urea, 5-20-01-00102 (Beilstein Handbook Reference), 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea, Phosphine oxide, bis(1-aziridinyl)((3-(p-iodophenyl)ureido)vinyl)-, Urea, 1-(2-(bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)-
| Molecular Formula | C13H16IN4O2P |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.00555 |
| Heavy Atoms | 21 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 54948-28-6 |
|---|---|
| SMILES | C1CN1P(=O)(C=CNC(=O)NC2=CC=C(C=C2)I)N3CC3 |
| InChIKey | IJWNKPCTJRPNLS-UHFFFAOYSA-N |
Product Overview
1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea (CAS 54948-28-6), with molecular formula C13H16IN4O2P and molecular weight 418.01 g/mol. IUPAC: 1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-iodophenyl)urea.
Chemical Property Profile of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea
Property Insights of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea. 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-(p-iodophenyl)urea. Following Lipinski's Rule of Five, 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea 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-(p-iodophenyl)urea?
The CAS number of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea is 54948-28-6.
What is the molecular formula of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea?
The molecular formula of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea is C13H16IN4O2P.
What is the molecular weight of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea?
The molecular weight of 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea is 418.01 g/mol.
Where can I buy 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea?
You can request a quote for 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea 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-(p-iodophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-iodophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.