AO-081/40681426
TL;DR: AO-081/40681426 (CAS 496951-83-8) is a chemical compound with molecular formula C23H23Cl2N3O3 and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
Also Known As: AO-081/40681426, N'-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(3,4-dimethoxyphenyl)acetohydrazide, N-[(E)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide, (E)-N'-((1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(3,4-dimethoxyphenyl)acetohydrazide, N'-{(E)-[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(3,4-dimethoxyphenyl)acetohydrazide
| Molecular Formula | C23H23Cl2N3O3 |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 5.11094 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.11163 |
| Heavy Atoms | 31 |
| Complexity | 1119.0857 |
Chemical Identifiers
| CAS Number | 496951-83-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)/C=N/NC(=O)CC3=CC(=C(C=C3)OC)OC |
Product Overview
AO-081/40681426 (CAS 496951-83-8), with molecular formula C23H23Cl2N3O3 and molecular weight 459.11 g/mol. IUPAC: N-[(E)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of AO-081/40681426
Property Insights of AO-081/40681426
The XLogP value of 5.11094 indicates that AO-081/40681426 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40681426. Following Lipinski's Rule of Five, AO-081/40681426 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40681426?
The CAS number of AO-081/40681426 is 496951-83-8.
What is the molecular formula of AO-081/40681426?
The molecular formula of AO-081/40681426 is C23H23Cl2N3O3.
What is the molecular weight of AO-081/40681426?
The molecular weight of AO-081/40681426 is 459.11 g/mol.
Where can I buy AO-081/40681426?
You can request a quote for AO-081/40681426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40681426?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40681426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.