依莰舒
TL;DR: 依莰舒 (CAS 249929-95-1) is a chemical compound with molecular formula C28H34O8S2 and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依莰舒
[3-[[4-[[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
Also Known As: Ecamsule, Mexoryl SX, Ecamsul, Mexoryl, Ecamsulum
| Molecular Formula | C28H34O8S2 |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 562.1695 |
| Heavy Atoms | 38 |
| Complexity | 1230.0 |
| Melting Point | 255 °C (decomposes) |
Chemical Identifiers
| CAS Number | 249929-95-1 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)C=C4C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C |
| InChIKey | HEAHZSUCFKFERC-UHFFFAOYSA-N |
Product Overview
依莰舒 (CAS 249929-95-1), with molecular formula C28H34O8S2 and molecular weight 562.17 g/mol. IUPAC: [3-[[4-[[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid.
Chemical Property Profile of 依莰舒
Property Insights of 依莰舒
The XLogP value of 3.1 indicates that 依莰舒 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 依莰舒 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 依莰舒 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 依莰舒?
The CAS number of 依莰舒 is 249929-95-1.
What is the molecular formula of 依莰舒?
The molecular formula of 依莰舒 is C28H34O8S2.
What is the molecular weight of 依莰舒?
The molecular weight of 依莰舒 is 562.17 g/mol.
Where can I buy 依莰舒?
You can request a quote for 依莰舒 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依莰舒?
Yes, KEHONG BIO provides custom synthesis services for 依莰舒 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.