PG-530742 free acid
TL;DR: PG-530742 free acid (CAS 291533-11-4) is a chemical compound with molecular formula C24H27N3O7S and molecular weight 501.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acid
Also Known As: PG-530742 free acid, PG-116800 Sodium Salt, PG-530742 SODIUM, PGE 7113313, 4-Hexynoic acid, 2-(((4-((4-methoxybenzoyl)amino)phenyl)sulfonyl)amino)-6-(4-morpholinyl)-
| Molecular Formula | C24H27N3O7S |
|---|---|
| Molecular Weight | 501.16 g/mol |
| LogP | 1.4047 |
| Topological Polar Surface Area | 134.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.15698 |
| Heavy Atoms | 35 |
| Complexity | 1180.3638 |
Chemical Identifiers
| CAS Number | 291533-11-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O |
Product Overview
PG-530742 free acid (CAS 291533-11-4), with molecular formula C24H27N3O7S and molecular weight 501.16 g/mol. IUPAC: 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acid.
Chemical Property Profile of PG-530742 free acid
Property Insights of PG-530742 free acid
The XLogP value of 1.4047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PG-530742 free acid. The TPSA of 134.27 Ų falls within the moderate polarity range, balancing permeability and solubility for PG-530742 free acid. Following Lipinski's Rule of Five, PG-530742 free acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PG-530742 free acid?
The CAS number of PG-530742 free acid is 291533-11-4.
What is the molecular formula of PG-530742 free acid?
The molecular formula of PG-530742 free acid is C24H27N3O7S.
What is the molecular weight of PG-530742 free acid?
The molecular weight of PG-530742 free acid is 501.16 g/mol.
Where can I buy PG-530742 free acid?
You can request a quote for PG-530742 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PG-530742 free acid?
Yes, KEHONG BIO provides custom synthesis services for PG-530742 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.