A2068/0087001
TL;DR: A2068/0087001 (CAS 333777-22-3) is a chemical compound with molecular formula C25H29NO5 and molecular weight 423.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: A2068/0087001, (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione, (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione, 1-hexyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one, 1-HEXYL-3-HYDROXY-5-(4-HYDROXY-3-METHOXYPHENYL)-4-(4-METHYLBENZOYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
| Molecular Formula | C25H29NO5 |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 4.71122 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.20456 |
| Heavy Atoms | 31 |
| Complexity | 993.472 |
Chemical Identifiers
| CAS Number | 333777-22-3 |
|---|---|
| SMILES | CCCCCCN1C(/C(=C(/C2=CC=C(C=C2)C)\O)/C(=O)C1=O)C3=CC(=C(C=C3)O)OC |
Product Overview
A2068/0087001 (CAS 333777-22-3), with molecular formula C25H29NO5 and molecular weight 423.20 g/mol. IUPAC: (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of A2068/0087001
Property Insights of A2068/0087001
The XLogP value of 4.71122 indicates that A2068/0087001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A2068/0087001. Following Lipinski's Rule of Five, A2068/0087001 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 A2068/0087001?
The CAS number of A2068/0087001 is 333777-22-3.
What is the molecular formula of A2068/0087001?
The molecular formula of A2068/0087001 is C25H29NO5.
What is the molecular weight of A2068/0087001?
The molecular weight of A2068/0087001 is 423.20 g/mol.
Where can I buy A2068/0087001?
You can request a quote for A2068/0087001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2068/0087001?
Yes, KEHONG BIO provides custom synthesis services for A2068/0087001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.