CID 112285
TL;DR: CID 112285 (CAS 288151-91-7) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxy-5-nitrophenyl)prop-2-enoic acid
Also Known As: 2-Methoxy-5-nitrocinnamic acid, (2E)-3-(2-methoxy-5-nitrophenyl)prop-2-enoic acid, (E)-3-(2-methoxy-5-nitro-phenyl)prop-2-enoic acid, (2E)-3-(2-METHOXY-5-NITROPHENYL)ACRYLIC ACID
| Molecular Formula | C10H9NO5 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04807 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 288151-91-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])C=CC(=O)O |
| InChIKey | PTGPYHUXNRRNOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 112285 (CAS 288151-91-7), with molecular formula C10H9NO5 and molecular weight 223.05 g/mol. IUPAC: 3-(2-methoxy-5-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of CID 112285
Property Insights of CID 112285
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 112285. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 112285. Following Lipinski's Rule of Five, CID 112285 has 1 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 CID 112285?
The CAS number of CID 112285 is 288151-91-7.
What is the molecular formula of CID 112285?
The molecular formula of CID 112285 is C10H9NO5.
What is the molecular weight of CID 112285?
The molecular weight of CID 112285 is 223.05 g/mol.
Where can I buy CID 112285?
You can request a quote for CID 112285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 112285?
Yes, KEHONG BIO provides custom synthesis services for CID 112285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.