Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)
TL;DR: Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) (CAS 74692-68-5) is a chemical compound with molecular formula C26H29Cl3N4O8 and molecular weight 630.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-(2-chloroethylcarbamoylamino)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate
Also Known As: Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate), [(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-(2-chloroethylcarbamoylamino)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate, 2,3-O-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-N-{[(2-chloroethyl)imino](hydroxy)methyl}-5-O-(4-nitrobenzoyl)-D-glycero-pentofuranosylamine, 2,3-O-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-N-{[(2-chloroethyl)imino](hydroxy)methyl}-5-O-(4-nitrobenzoyl)pentofuranosylamine, RefChem:387253
| Molecular Formula | C26H29Cl3N4O8 |
|---|---|
| Molecular Weight | 630.11 g/mol |
| LogP | 3.7813 |
| Topological Polar Surface Area | 141.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 630.1051 |
| Heavy Atoms | 41 |
| Complexity | 1184.259 |
Chemical Identifiers
| CAS Number | 74692-68-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2OC3[C@H](OC(C3O2)NC(=O)NCCCl)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(CCCl)CCCl |
Product Overview
Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) (CAS 74692-68-5), with molecular formula C26H29Cl3N4O8 and molecular weight 630.11 g/mol. IUPAC: [(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-(2-chloroethylcarbamoylamino)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate.
Chemical Property Profile of Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)
Property Insights of Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)
The XLogP value of 3.7813 indicates that Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.5 Ų indicates high polarity, suggesting Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)?
The CAS number of Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) is 74692-68-5.
What is the molecular formula of Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)?
The molecular formula of Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) is C26H29Cl3N4O8.
What is the molecular weight of Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)?
The molecular weight of Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) is 630.11 g/mol.
Where can I buy Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)?
You can request a quote for Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.