NCIOpen2_004043
TL;DR: NCIOpen2_004043 (CAS 28705-92-2) is a chemical compound with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)carbamoyloxy]propanoic acid
Also Known As: NCIOpen2_004043, DUXCOTKQMWMAPC-UHFFFAOYSA, 2-{[(3-chlorophenyl)carbamoyl]oxy}propanoic acid, 2-[(3-chlorophenyl)carbamoyloxy]propanoic acid, 1-carboxyethyl n-(3-chlorophenyl)carbamate
| Molecular Formula | C10H10ClNO4 |
|---|---|
| Molecular Weight | 243.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.02983 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 28705-92-2 |
|---|---|
| SMILES | CC(C(=O)O)OC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | NRAOBMLLDCDJMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCIOpen2_004043 (CAS 28705-92-2), with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol. IUPAC: 2-[(3-chlorophenyl)carbamoyloxy]propanoic acid.
Chemical Property Profile of NCIOpen2_004043
Property Insights of NCIOpen2_004043
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_004043. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_004043. Following Lipinski's Rule of Five, NCIOpen2_004043 has 2 hydrogen bond donor(s) and 4 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 NCIOpen2_004043?
The CAS number of NCIOpen2_004043 is 28705-92-2.
What is the molecular formula of NCIOpen2_004043?
The molecular formula of NCIOpen2_004043 is C10H10ClNO4.
What is the molecular weight of NCIOpen2_004043?
The molecular weight of NCIOpen2_004043 is 243.03 g/mol.
Where can I buy NCIOpen2_004043?
You can request a quote for NCIOpen2_004043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_004043?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_004043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.