ChemDiv1_027939
TL;DR: ChemDiv1_027939 (CAS 31407-15-5) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-anilino-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
Also Known As: ChemDiv1_027939, BAS 00552757, BIM-0033275.P001, J1.065.038K, AB00096726-01
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 3.351 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 802.2057 |
Chemical Identifiers
| CAS Number | 31407-15-5 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC=CC=C3)C |
Product Overview
ChemDiv1_027939 (CAS 31407-15-5), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: ethyl 4-anilino-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.
Chemical Property Profile of ChemDiv1_027939
Property Insights of ChemDiv1_027939
The XLogP value of 3.351 indicates that ChemDiv1_027939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv1_027939 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_027939 has 1 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 ChemDiv1_027939?
The CAS number of ChemDiv1_027939 is 31407-15-5.
What is the molecular formula of ChemDiv1_027939?
The molecular formula of ChemDiv1_027939 is C20H20N2O3.
What is the molecular weight of ChemDiv1_027939?
The molecular weight of ChemDiv1_027939 is 336.15 g/mol.
Where can I buy ChemDiv1_027939?
You can request a quote for ChemDiv1_027939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027939?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.