SB 234551
TL;DR: SB 234551 (CAS 188257-75-2) is a chemical compound with molecular formula C34H34N2O9 and molecular weight 614.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[1-butyl-4-[(E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-1-enyl]pyrazol-5-yl]-5-methoxyphenoxy]methyl]benzoic acid
Also Known As: SB 234551, 2-[[2-[2-butyl-4-[(E)-3-hydroxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxoprop-1-enyl]pyrazol-3-yl]-5-methoxyphenoxy]methyl]benzoic acid, 2-[[2-[2-butyl-4-[(E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-1-enyl]pyrazol-3-yl]-5-methoxyphenoxy]methyl]benzoic acid, 1,3-Benzodioxole-5-propanoic acid, alpha-[[1-butyl-5-[2-[(2-carboxyphenyl)methoxy]-4-methoxyphenyl]-1H-pyrazol-4-yl]methylene]-6-methoxy-, (alphaE)-, (E)-2-[(6-Methoxy-1,3-benzodioxol-5-yl)methyl]-3-[1-butyl-5-[2-[(2-carboxyphenyl)methoxy]-4-methoxyphenyl]-1H-pyrazol-4-yl]acrylic acid
| Molecular Formula | C34H34N2O9 |
|---|---|
| Molecular Weight | 614.23 g/mol |
| LogP | 6.084 |
| Topological Polar Surface Area | 138.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 614.22644 |
| Heavy Atoms | 45 |
| Complexity | 1741.6838 |
Chemical Identifiers
| CAS Number | 188257-75-2 |
|---|---|
| SMILES | CCCCN1C(=C(C=N1)/C=C(\CC2=CC3=C(C=C2OC)OCO3)/C(=O)O)C4=C(C=C(C=C4)OC)OCC5=CC=CC=C5C(=O)O |
Product Overview
SB 234551 (CAS 188257-75-2), with molecular formula C34H34N2O9 and molecular weight 614.23 g/mol. IUPAC: 2-[[2-[1-butyl-4-[(E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-1-enyl]pyrazol-5-yl]-5-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of SB 234551
Property Insights of SB 234551
The XLogP value of 6.084 indicates that SB 234551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.57 Ų falls within the moderate polarity range, balancing permeability and solubility for SB 234551. Following Lipinski's Rule of Five, SB 234551 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SB 234551?
The CAS number of SB 234551 is 188257-75-2.
What is the molecular formula of SB 234551?
The molecular formula of SB 234551 is C34H34N2O9.
What is the molecular weight of SB 234551?
The molecular weight of SB 234551 is 614.23 g/mol.
Where can I buy SB 234551?
You can request a quote for SB 234551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SB 234551?
Yes, KEHONG BIO provides custom synthesis services for SB 234551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.