Nrdc 181
TL;DR: Nrdc 181 (CAS 65363-01-1) is a chemical compound with molecular formula C25H20ClNO3 and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-2-cyclopropylacetate
Also Known As: NRDC 181, 4-Chloro-alpha-(1-cyclopropyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester, Benzeneacetic acid, 4-chloro-alpha-(1-cyclopropyl)-, cyano(3-phenoxyphenyl)methyl ester, [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-2-cyclopropylacetate, Cyano(3-phenoxyphenyl)methyl (4-chlorophenyl)(cyclopropyl)acetate
| Molecular Formula | C25H20ClNO3 |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.11316 |
| Heavy Atoms | 30 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 65363-01-1 |
|---|---|
| SMILES | C1CC1C(C2=CC=C(C=C2)Cl)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | LUMDPGWEAWOYRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nrdc 181 (CAS 65363-01-1), with molecular formula C25H20ClNO3 and molecular weight 417.11 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-2-cyclopropylacetate.
Chemical Property Profile of Nrdc 181
Property Insights of Nrdc 181
The XLogP value of 6.0 indicates that Nrdc 181 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Nrdc 181 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nrdc 181 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nrdc 181?
The CAS number of Nrdc 181 is 65363-01-1.
What is the molecular formula of Nrdc 181?
The molecular formula of Nrdc 181 is C25H20ClNO3.
What is the molecular weight of Nrdc 181?
The molecular weight of Nrdc 181 is 417.11 g/mol.
Where can I buy Nrdc 181?
You can request a quote for Nrdc 181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nrdc 181?
Yes, KEHONG BIO provides custom synthesis services for Nrdc 181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.