IDI1_022470
TL;DR: IDI1_022470 (CAS 429642-17-1) is a chemical compound with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(Z)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: IDI1_022470, AN-989/40746937, BRD-K63180001-001-01-6, 4-({2-[(1-methyl-5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid, (Z)-4-((2-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)phenoxy)methyl)benzoic acid
| Molecular Formula | C19H16N2O4S |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 2.6512 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.08307 |
| Heavy Atoms | 26 |
| Complexity | 906.0101 |
Chemical Identifiers
| CAS Number | 429642-17-1 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/NC1=S |
Product Overview
IDI1_022470 (CAS 429642-17-1), with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol. IUPAC: 4-[[2-[(Z)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of IDI1_022470
Property Insights of IDI1_022470
The XLogP value of 2.6512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_022470. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_022470. Following Lipinski's Rule of Five, IDI1_022470 has 2 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 IDI1_022470?
The CAS number of IDI1_022470 is 429642-17-1.
What is the molecular formula of IDI1_022470?
The molecular formula of IDI1_022470 is C19H16N2O4S.
What is the molecular weight of IDI1_022470?
The molecular weight of IDI1_022470 is 368.08 g/mol.
Where can I buy IDI1_022470?
You can request a quote for IDI1_022470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_022470?
Yes, KEHONG BIO provides custom synthesis services for IDI1_022470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.