Sphaerophorin
TL;DR: Sphaerophorin (CAS 529-56-6) is a chemical compound with molecular formula C23H28O7 and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptyl-6-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxybenzoic acid
Also Known As: sphaerophorin, Spherophorin, 2-heptyl-6-hydroxy-4-[oxy]benzoicacid, 2-Heptyl-6-hydroxy-4-[ oxy]benzoicacid, NCI60_015817
| Molecular Formula | C23H28O7 |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 416.1835 |
| Heavy Atoms | 30 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 529-56-6 |
|---|---|
| SMILES | CCCCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2C)OC)O)O)C(=O)O |
| InChIKey | LNAYIVMXSQCRRC-UHFFFAOYSA-N |
Product Overview
Sphaerophorin (CAS 529-56-6), with molecular formula C23H28O7 and molecular weight 416.18 g/mol. IUPAC: 2-heptyl-6-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxybenzoic acid.
Chemical Property Profile of Sphaerophorin
Property Insights of Sphaerophorin
The XLogP value of 7.1 indicates that Sphaerophorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sphaerophorin. Following Lipinski's Rule of Five, Sphaerophorin 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 Sphaerophorin?
The CAS number of Sphaerophorin is 529-56-6.
What is the molecular formula of Sphaerophorin?
The molecular formula of Sphaerophorin is C23H28O7.
What is the molecular weight of Sphaerophorin?
The molecular weight of Sphaerophorin is 416.18 g/mol.
Where can I buy Sphaerophorin?
You can request a quote for Sphaerophorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sphaerophorin?
Yes, KEHONG BIO provides custom synthesis services for Sphaerophorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.