AO-081/14338121
TL;DR: AO-081/14338121 (CAS 348577-62-8) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoic acid
Also Known As: AO-081/14338121, (Z)-3-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid, 3-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoic acid, 3-{3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid, 3-(3-{[(4Z)-2,5-DIOXOIMIDAZOLIDIN-4-YLIDENE]METHYL}-2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.28106 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 953.47107 |
Chemical Identifiers
| CAS Number | 348577-62-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)/C=C\3/C(=O)NC(=O)N3 |
Product Overview
AO-081/14338121 (CAS 348577-62-8), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: 3-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoic acid.
Chemical Property Profile of AO-081/14338121
Property Insights of AO-081/14338121
The XLogP value of 2.28106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/14338121. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/14338121. Following Lipinski's Rule of Five, AO-081/14338121 has 3 hydrogen bond donor(s) and 3 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 AO-081/14338121?
The CAS number of AO-081/14338121 is 348577-62-8.
What is the molecular formula of AO-081/14338121?
The molecular formula of AO-081/14338121 is C18H17N3O4.
What is the molecular weight of AO-081/14338121?
The molecular weight of AO-081/14338121 is 339.12 g/mol.
Where can I buy AO-081/14338121?
You can request a quote for AO-081/14338121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/14338121?
Yes, KEHONG BIO provides custom synthesis services for AO-081/14338121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.