![[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate structure](/static/products/822/82219-37-2.png)
[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate
TL;DR: [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate (CAS 82219-37-2) is a chemical compound with molecular formula C22H33ClN4O12 and molecular weight 580.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate
Also Known As: [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate|1,3,4,6-Tetra-O-acetyl-2-({N-[(2-chloroethyl)(nitroso)carbamoyl]valyl}amino)-2-deoxyhexopyranose
| Molecular Formula | C22H33ClN4O12 |
|---|---|
| Molecular Weight | 580.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 580.17834 |
| Heavy Atoms | 39 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 82219-37-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC1C(C(C(OC1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)N(CCCl)N=O |
| InChIKey | TZRIHHHESMIOFQ-UHFFFAOYSA-N |
Product Overview
[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate (CAS 82219-37-2), with molecular formula C22H33ClN4O12 and molecular weight 580.18 g/mol. IUPAC: [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate
Property Insights of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate. The TPSA of 205.0 Ų indicates high polarity, suggesting [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate?
The CAS number of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate is 82219-37-2.
What is the molecular formula of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate is C22H33ClN4O12.
What is the molecular weight of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate is 580.18 g/mol.
Where can I buy [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.