ChemDiv2_000395
TL;DR: ChemDiv2_000395 (CAS 1005060-47-8) is a chemical compound with molecular formula C19H24FNO3 and molecular weight 333.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanoate
Also Known As: ChemDiv2_000395, BAS 01312608, ethyl 2-cyano-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanoate, ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanoate
| Molecular Formula | C19H24FNO3 |
|---|---|
| Molecular Weight | 333.17 g/mol |
| LogP | 3.81738 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.174 |
| Heavy Atoms | 24 |
| Complexity | 606.0331 |
Chemical Identifiers
| CAS Number | 1005060-47-8 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C1CCOC(C1)(C)C)C2=CC=C(C=C2)F |
Product Overview
ChemDiv2_000395 (CAS 1005060-47-8), with molecular formula C19H24FNO3 and molecular weight 333.17 g/mol. IUPAC: ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanoate.
Chemical Property Profile of ChemDiv2_000395
Property Insights of ChemDiv2_000395
The XLogP value of 3.81738 indicates that ChemDiv2_000395 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, ChemDiv2_000395 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_000395 has 0 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 ChemDiv2_000395?
The CAS number of ChemDiv2_000395 is 1005060-47-8.
What is the molecular formula of ChemDiv2_000395?
The molecular formula of ChemDiv2_000395 is C19H24FNO3.
What is the molecular weight of ChemDiv2_000395?
The molecular weight of ChemDiv2_000395 is 333.17 g/mol.
Where can I buy ChemDiv2_000395?
You can request a quote for ChemDiv2_000395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000395?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.