N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate
TL;DR: N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate (CAS 82198-59-2) is a chemical compound with molecular formula C18H27Cl2NO9 and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5S)-3,4,5-triacetyloxy-6-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate
Also Known As: 2,3,4,6-tetra-o-acetyl-n,n-bis(2-chloroethyl)-l-glucopyranosylamine, N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate, L-Glucopyranosylamine, N,N-bis(2-chloroethyl)-, 2,3,4,6-tetr, L-Glucopyranosylamine, N,N-bis(2-chloroethyl)-, 2,3,4,6-tetraacetate, [(2S,3S,4R,5S)-3,4,5-triacetyloxy-6-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate
| Molecular Formula | C18H27Cl2NO9 |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 471.1063 |
| Heavy Atoms | 30 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 82198-59-2 |
|---|---|
| SMILES | CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H](C(O1)N(CCCl)CCCl)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | DJUWKQJNJVMFIU-KYLYMASSSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate (CAS 82198-59-2), with molecular formula C18H27Cl2NO9 and molecular weight 471.11 g/mol. IUPAC: [(2S,3S,4R,5S)-3,4,5-triacetyloxy-6-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate
Property Insights of N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate has 0 hydrogen bond donor(s) and 10 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 N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate?
The CAS number of N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate is 82198-59-2.
What is the molecular formula of N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate?
The molecular formula of N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate is C18H27Cl2NO9.
What is the molecular weight of N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate?
The molecular weight of N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate is 471.11 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate?
You can request a quote for N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.