![[3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate structure](/static/products/7494/7494-82-8.webp)
[3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
TL;DR: [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate (CAS 7494-82-8) is a chemical compound with molecular formula C25H27N5O13 and molecular weight 605.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
Also Known As: [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate|4-(4-Nitrobenzamido)-1-{3,4,6-tri-O-acetyl-2-deoxy-2-[(methoxycarbonyl)amino]hexopyranosyl}pyrimidin-2(1H)-one
| Molecular Formula | C25H27N5O13 |
|---|---|
| Molecular Weight | 605.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 605.1605 |
| Heavy Atoms | 43 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 7494-82-8 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC)OC(=O)C)OC(=O)C |
| InChIKey | IVRRZBXGSIGQBU-UHFFFAOYSA-N |
Product Overview
[3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate (CAS 7494-82-8), with molecular formula C25H27N5O13 and molecular weight 605.16 g/mol. IUPAC: [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
Property Insights of [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate. The TPSA of 234.0 Ų indicates high polarity, suggesting [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]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-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
The CAS number of [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate is 7494-82-8.
What is the molecular formula of [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
The molecular formula of [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate is C25H27N5O13.
What is the molecular weight of [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
The molecular weight of [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate is 605.16 g/mol.
Where can I buy [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
You can request a quote for [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]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-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.