1,3-Bis(2-bromoethyl)-1-nitrosourea
TL;DR: 1,3-Bis(2-bromoethyl)-1-nitrosourea (CAS 1618-45-7) is a chemical compound with molecular formula C5H9Br2N3O2 and molecular weight 300.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-bromoethyl)-1-nitrosourea
Also Known As: 1,3-bis(2-bromoethyl)-1-nitrosourea, 1,3-Bis(2-bromoethyl)nitrosourea, KST-1B0778, N,N'-Bis(2-bromoethyl)-N-nitrosourea, Urea,N'-bis(2-bromoethyl)-N-nitroso-
| Molecular Formula | C5H9Br2N3O2 |
|---|---|
| Molecular Weight | 300.91 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.90616 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 1618-45-7 |
|---|---|
| SMILES | C(CBr)NC(=O)N(CCBr)N=O |
| InChIKey | SGLGACDZOVNNDY-UHFFFAOYSA-N |
Product Overview
1,3-Bis(2-bromoethyl)-1-nitrosourea (CAS 1618-45-7), with molecular formula C5H9Br2N3O2 and molecular weight 300.91 g/mol. IUPAC: 1,3-bis(2-bromoethyl)-1-nitrosourea.
Chemical Property Profile of 1,3-Bis(2-bromoethyl)-1-nitrosourea
Property Insights of 1,3-Bis(2-bromoethyl)-1-nitrosourea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(2-bromoethyl)-1-nitrosourea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(2-bromoethyl)-1-nitrosourea. Following Lipinski's Rule of Five, 1,3-Bis(2-bromoethyl)-1-nitrosourea has 1 hydrogen bond donor(s) and 3 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 1,3-Bis(2-bromoethyl)-1-nitrosourea?
The CAS number of 1,3-Bis(2-bromoethyl)-1-nitrosourea is 1618-45-7.
What is the molecular formula of 1,3-Bis(2-bromoethyl)-1-nitrosourea?
The molecular formula of 1,3-Bis(2-bromoethyl)-1-nitrosourea is C5H9Br2N3O2.
What is the molecular weight of 1,3-Bis(2-bromoethyl)-1-nitrosourea?
The molecular weight of 1,3-Bis(2-bromoethyl)-1-nitrosourea is 300.91 g/mol.
Where can I buy 1,3-Bis(2-bromoethyl)-1-nitrosourea?
You can request a quote for 1,3-Bis(2-bromoethyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(2-bromoethyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2-bromoethyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.