AN-988/40984557
TL;DR: AN-988/40984557 (CAS 497225-37-3) is a chemical compound with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]acetamide
Also Known As: AN-988/40984557, 2-(4-chlorophenoxy)-N-(2-{(2E)-2-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)acetamide (non-preferred name), 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]acetamide, (E)-2-(4-chlorophenoxy)-N-(2-(2-((1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methylene)hydrazinyl)-2-oxoethyl)acetamide, 2-(4-chlorophenoxy)-N-(2-{2-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylene]hydrazino}-2-oxoethyl)acetamide
| Molecular Formula | C20H20ClN5O4 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 1.1757 |
| Topological Polar Surface Area | 106.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.1204 |
| Heavy Atoms | 30 |
| Complexity | 1164.3938 |
Chemical Identifiers
| CAS Number | 497225-37-3 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)/C=N/NC(=O)CNC(=O)COC3=CC=C(C=C3)Cl)N(C1=O)C |
Product Overview
AN-988/40984557 (CAS 497225-37-3), with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol. IUPAC: 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]acetamide.
Chemical Property Profile of AN-988/40984557
Property Insights of AN-988/40984557
The XLogP value of 1.1757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/40984557. The TPSA of 106.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40984557. Following Lipinski's Rule of Five, AN-988/40984557 has 2 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 AN-988/40984557?
The CAS number of AN-988/40984557 is 497225-37-3.
What is the molecular formula of AN-988/40984557?
The molecular formula of AN-988/40984557 is C20H20ClN5O4.
What is the molecular weight of AN-988/40984557?
The molecular weight of AN-988/40984557 is 429.12 g/mol.
Where can I buy AN-988/40984557?
You can request a quote for AN-988/40984557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40984557?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40984557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.