AB00116513-01
TL;DR: AB00116513-01 (CAS 370573-98-1) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AB00116513-01, (4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 3.6358 |
| Topological Polar Surface Area | 99.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 1125.6943 |
Chemical Identifiers
| CAS Number | 370573-98-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4)O |
Product Overview
AB00116513-01 (CAS 370573-98-1), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AB00116513-01
Property Insights of AB00116513-01
The XLogP value of 3.6358 indicates that AB00116513-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116513-01. Following Lipinski's Rule of Five, AB00116513-01 has 2 hydrogen bond donor(s) and 7 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 AB00116513-01?
The CAS number of AB00116513-01 is 370573-98-1.
What is the molecular formula of AB00116513-01?
The molecular formula of AB00116513-01 is C22H18N2O5S.
What is the molecular weight of AB00116513-01?
The molecular weight of AB00116513-01 is 422.09 g/mol.
Where can I buy AB00116513-01?
You can request a quote for AB00116513-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116513-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116513-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.