5-18-11-00419 (Beilstein Handbook Reference)
TL;DR: 5-18-11-00419 (Beilstein Handbook Reference) (CAS 59629-56-0) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-oxochromen-2-yl)carbamoylamino]benzoate
Also Known As: 5-18-11-00419 (Beilstein Handbook Reference), methyl 2-[(4-oxochromen-2-yl)carbamoylamino]benzoate, Benzoic acid, 2-((((4-oxo-4H-1-benzopyran-2-yl)amino)carbonyl)amino)-, methyl ester, Methyl 2-((((4-oxo-4H-1-benzopyran-2-yl)amino)carbonyl)amino)benzoate, Methyl 2-{[(4-oxo-4H-1-benzopyran-2-yl)carbamoyl]amino}benzoate
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 3.2236 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 1009.5191 |
Chemical Identifiers
| CAS Number | 59629-56-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)NC2=CC(=O)C3=CC=CC=C3O2 |
Product Overview
5-18-11-00419 (Beilstein Handbook Reference) (CAS 59629-56-0), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: methyl 2-[(4-oxochromen-2-yl)carbamoylamino]benzoate.
Chemical Property Profile of 5-18-11-00419 (Beilstein Handbook Reference)
Property Insights of 5-18-11-00419 (Beilstein Handbook Reference)
The XLogP value of 3.2236 indicates that 5-18-11-00419 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-18-11-00419 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-18-11-00419 (Beilstein Handbook Reference) 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 5-18-11-00419 (Beilstein Handbook Reference)?
The CAS number of 5-18-11-00419 (Beilstein Handbook Reference) is 59629-56-0.
What is the molecular formula of 5-18-11-00419 (Beilstein Handbook Reference)?
The molecular formula of 5-18-11-00419 (Beilstein Handbook Reference) is C18H14N2O5.
What is the molecular weight of 5-18-11-00419 (Beilstein Handbook Reference)?
The molecular weight of 5-18-11-00419 (Beilstein Handbook Reference) is 338.09 g/mol.
Where can I buy 5-18-11-00419 (Beilstein Handbook Reference)?
You can request a quote for 5-18-11-00419 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-18-11-00419 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-18-11-00419 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.