AO-022/43453139
TL;DR: AO-022/43453139 (CAS 797015-87-3) is a chemical compound with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[4,5-dioxo-2-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AO-022/43453139, methyl 4-[(E)-[4,5-dioxo-2-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-{[4-hydroxy-2-(4-isopropylphenyl)-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-(4-hydroxy-2-(4-isopropylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C28H29N3O5 |
|---|---|
| Molecular Weight | 487.21 g/mol |
| LogP | 4.55844 |
| Topological Polar Surface Area | 112.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.21072 |
| Heavy Atoms | 36 |
| Complexity | 1353.8269 |
Chemical Identifiers
| CAS Number | 797015-87-3 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)C)/O)C)C(=O)OC |
Product Overview
AO-022/43453139 (CAS 797015-87-3), with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol. IUPAC: methyl 4-[(E)-[4,5-dioxo-2-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AO-022/43453139
Property Insights of AO-022/43453139
The XLogP value of 4.55844 indicates that AO-022/43453139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453139. Following Lipinski's Rule of Five, AO-022/43453139 has 2 hydrogen bond donor(s) and 6 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-022/43453139?
The CAS number of AO-022/43453139 is 797015-87-3.
What is the molecular formula of AO-022/43453139?
The molecular formula of AO-022/43453139 is C28H29N3O5.
What is the molecular weight of AO-022/43453139?
The molecular weight of AO-022/43453139 is 487.21 g/mol.
Where can I buy AO-022/43453139?
You can request a quote for AO-022/43453139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453139?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.