Ecomustine
TL;DR: Ecomustine (CAS 98383-18-7) is a chemical compound with molecular formula C10H18ClN3O6 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea
Also Known As: Ecomustine, CY 233, 1-(2-chloroethyl)-3-[3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea, hexopyranoside, methyl 3-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2,3-dideoxy-, 1-(2-chloroethyl)-3-[(2R,3S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea
| Molecular Formula | C10H18ClN3O6 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.0884 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 98383-18-7 |
|---|---|
| SMILES | COC1CC(C(C(O1)CO)O)NC(=O)N(CCCl)N=O |
| InChIKey | YQYBWJPESSJLTK-UHFFFAOYSA-N |
Product Overview
Ecomustine (CAS 98383-18-7), with molecular formula C10H18ClN3O6 and molecular weight 311.09 g/mol. IUPAC: 1-(2-chloroethyl)-3-[3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea.
Chemical Property Profile of Ecomustine
Property Insights of Ecomustine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ecomustine. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ecomustine. Following Lipinski's Rule of Five, Ecomustine has 3 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 Ecomustine?
The CAS number of Ecomustine is 98383-18-7.
What is the molecular formula of Ecomustine?
The molecular formula of Ecomustine is C10H18ClN3O6.
What is the molecular weight of Ecomustine?
The molecular weight of Ecomustine is 311.09 g/mol.
Where can I buy Ecomustine?
You can request a quote for Ecomustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ecomustine?
Yes, KEHONG BIO provides custom synthesis services for Ecomustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.