![1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol structure](/static/products/4997/4997-39-1.webp)
1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol
TL;DR: 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol (CAS 4997-39-1) is a chemical compound with molecular formula C9H18N2O5 and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetonitrile
Also Known As: 1-[(cyanomethyl)(methyl)amino]-1-deoxyhexitol, KST-1B5311, 3-Carboxy-10-methyl-phenothiazin-5,5-dioxid, 2-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetonitrile, 10-methyl-5,5-dioxo-5,10-dihydro-5
| Molecular Formula | C9H18N2O5 |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.12157 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 4997-39-1 |
|---|---|
| SMILES | CN(CC#N)CC(C(C(C(CO)O)O)O)O |
| InChIKey | WRCLQLFDPLSVSG-UHFFFAOYSA-N |
Product Overview
1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol (CAS 4997-39-1), with molecular formula C9H18N2O5 and molecular weight 234.12 g/mol. IUPAC: 2-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetonitrile.
Chemical Property Profile of 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol
Property Insights of 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol
The XLogP value of -3.1 indicates that 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol. Following Lipinski's Rule of Five, 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol has 5 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 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol?
The CAS number of 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol is 4997-39-1.
What is the molecular formula of 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol?
The molecular formula of 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol is C9H18N2O5.
What is the molecular weight of 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol?
The molecular weight of 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol is 234.12 g/mol.
Where can I buy 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol?
You can request a quote for 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Cyanomethyl)(methyl)amino]-1-deoxyhexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.