明膠
TL;DR: 明膠 (CAS 9000-70-8) is a chemical compound with molecular formula C31H27NO4 and molecular weight 477.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
明膠
5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Furcelleran, Furcelleran gum, Danish agar, Burtonitte 44, MRS 1191, solid
| Molecular Formula | C31H27NO4 |
|---|---|
| Molecular Weight | 477.19 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.194 |
| Heavy Atoms | 36 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 9000-70-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C |
| InChIKey | SNVFDPHQAOXWJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
明膠 (CAS 9000-70-8), with molecular formula C31H27NO4 and molecular weight 477.19 g/mol. IUPAC: 5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 明膠
Property Insights of 明膠
The XLogP value of 6.1 indicates that 明膠 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 明膠. Following Lipinski's Rule of Five, 明膠 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 明膠?
The CAS number of 明膠 is 9000-70-8.
What is the molecular formula of 明膠?
The molecular formula of 明膠 is C31H27NO4.
What is the molecular weight of 明膠?
The molecular weight of 明膠 is 477.19 g/mol.
Where can I buy 明膠?
You can request a quote for 明膠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 明膠?
Yes, KEHONG BIO provides custom synthesis services for 明膠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.