I 278
TL;DR: I 278 (CAS 113739-44-9) is a chemical compound with molecular formula C9H13ClN6O5 and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1-nitrosourea
Also Known As: I-278, KST-1B0133, I 278, 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1-nitrosourea, 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitro-1h-imidazol-1-yl)propyl]-1-nitrosourea
| Molecular Formula | C9H13ClN6O5 |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.0636 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 113739-44-9 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(CNC(=O)N(CCCl)N=O)O |
| InChIKey | ZTORIAQXOHCLRD-UHFFFAOYSA-N |
Product Overview
I 278 (CAS 113739-44-9), with molecular formula C9H13ClN6O5 and molecular weight 320.06 g/mol. IUPAC: 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1-nitrosourea.
Chemical Property Profile of I 278
Property Insights of I 278
The XLogP value of -0.3 indicates that I 278 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting I 278 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I 278 has 2 hydrogen bond donor(s) and 7 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 I 278?
The CAS number of I 278 is 113739-44-9.
What is the molecular formula of I 278?
The molecular formula of I 278 is C9H13ClN6O5.
What is the molecular weight of I 278?
The molecular weight of I 278 is 320.06 g/mol.
Where can I buy I 278?
You can request a quote for I 278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I 278?
Yes, KEHONG BIO provides custom synthesis services for I 278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.