C32H37NO6S
TL;DR: C32H37NO6S (CAS 150399-22-7) is a chemical compound with molecular formula C32H37NO6S and molecular weight 563.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-(2-carboxyethenyl)-5-[8-(4-methoxyphenyl)octoxy]-2-pyridinyl]methylsulfanylmethyl]benzoic acid
Also Known As: SB 201993, Benzoic acid,3-[[[[6-[(1E)-2-carboxyethenyl]-5-[[8-(4-methoxyphenyl)octyl]oxy]-2-pyridinyl]methyl]thio]methyl]-, (E)-3-((((6-(2-Carboxyethenyl)-5-((8-(4-methoxyphenyl)octyl)oxy)-2-pyridinyl)methyl)thio)methyl)benzoic acid
| Molecular Formula | C32H37NO6S |
|---|---|
| Molecular Weight | 563.23 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 563.23413 |
| Heavy Atoms | 40 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 150399-22-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSCC3=CC(=CC=C3)C(=O)O)C=CC(=O)O |
| InChIKey | QQUXZUFSDIOIFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C32H37NO6S (CAS 150399-22-7), with molecular formula C32H37NO6S and molecular weight 563.23 g/mol. IUPAC: 3-[[6-(2-carboxyethenyl)-5-[8-(4-methoxyphenyl)octoxy]-2-pyridinyl]methylsulfanylmethyl]benzoic acid.
Chemical Property Profile of C32H37NO6S
Property Insights of C32H37NO6S
The XLogP value of 7.1 indicates that C32H37NO6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C32H37NO6S. Following Lipinski's Rule of Five, C32H37NO6S 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 C32H37NO6S?
The CAS number of C32H37NO6S is 150399-22-7.
What is the molecular formula of C32H37NO6S?
The molecular formula of C32H37NO6S is C32H37NO6S.
What is the molecular weight of C32H37NO6S?
The molecular weight of C32H37NO6S is 563.23 g/mol.
Where can I buy C32H37NO6S?
You can request a quote for C32H37NO6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C32H37NO6S?
Yes, KEHONG BIO provides custom synthesis services for C32H37NO6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.