2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid
TL;DR: 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid (CAS 144564-95-4) is a chemical compound with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid
Also Known As: C(Cbz)-acetic acid, Cytosine-CBZ Acetic Acid, 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid, (N4-CBz-cytosin-1-yl)acetic acid, 2-Oxo-4-[(benzyloxycarbonyl)amino]pyrimidine-1(2H)-acetic acid
| Molecular Formula | C14H13N3O5 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.0855 |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 144564-95-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC2=NC(=O)N(C=C2)CC(=O)O |
| InChIKey | ONHBSJOXWOGKOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid (CAS 144564-95-4), with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol. IUPAC: 2-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid.
Chemical Property Profile of 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid
Property Insights of 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid. Following Lipinski's Rule of Five, 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid has 2 hydrogen bond donor(s) and 5 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 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid?
The CAS number of 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid is 144564-95-4.
What is the molecular formula of 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid?
The molecular formula of 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid is C14H13N3O5.
What is the molecular weight of 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid?
The molecular weight of 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid is 303.09 g/mol.
Where can I buy 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid?
You can request a quote for 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.