ChemDiv3_004699
TL;DR: ChemDiv3_004699 (CAS 1008865-88-0) is a chemical compound with molecular formula C20H18FN3O4S and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: ChemDiv3_004699, BAS 02280343, IDI1_022609, BRD-A21149856-001-01-0, A3506/0148533
| Molecular Formula | C20H18FN3O4S |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 2.3296 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.10022 |
| Heavy Atoms | 29 |
| Complexity | 936.5023 |
Chemical Identifiers
| CAS Number | 1008865-88-0 |
|---|---|
| SMILES | COC(=O)CN1C(C(=O)N(C1=S)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F |
Product Overview
ChemDiv3_004699 (CAS 1008865-88-0), with molecular formula C20H18FN3O4S and molecular weight 415.10 g/mol. IUPAC: methyl 2-[5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate.
Chemical Property Profile of ChemDiv3_004699
Property Insights of ChemDiv3_004699
The XLogP value of 2.3296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004699. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004699. Following Lipinski's Rule of Five, ChemDiv3_004699 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 ChemDiv3_004699?
The CAS number of ChemDiv3_004699 is 1008865-88-0.
What is the molecular formula of ChemDiv3_004699?
The molecular formula of ChemDiv3_004699 is C20H18FN3O4S.
What is the molecular weight of ChemDiv3_004699?
The molecular weight of ChemDiv3_004699 is 415.10 g/mol.
Where can I buy ChemDiv3_004699?
You can request a quote for ChemDiv3_004699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004699?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.