Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-
TL;DR: Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- (CAS 58845-59-3) is a chemical compound with molecular formula C14H20ClN3O9 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
Also Known As: X-Pcnu, Rpcnu, ICIG 1163, (D-xylopyranosyl)-isomer, Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-, N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)urea
| Molecular Formula | C14H20ClN3O9 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.0888 |
| Heavy Atoms | 27 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 58845-59-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)NC(=O)N(CCCl)N=O |
| InChIKey | QMJJEUBKQJZIGH-YVECIDJPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- (CAS 58845-59-3), with molecular formula C14H20ClN3O9 and molecular weight 409.09 g/mol. IUPAC: [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate.
Chemical Property Profile of Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-
Property Insights of Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-. The TPSA of 150.0 Ų indicates high polarity, suggesting Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- has 1 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 Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-?
The CAS number of Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- is 58845-59-3.
What is the molecular formula of Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-?
The molecular formula of Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- is C14H20ClN3O9.
What is the molecular weight of Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-?
The molecular weight of Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- is 409.09 g/mol.
Where can I buy Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-?
You can request a quote for Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.