Tremulacin
TL;DR: Tremulacin (CAS 29836-40-6) is a chemical compound with molecular formula C27H28O11 and molecular weight 528.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]oxan-3-yl] benzoate
Also Known As: Tremulacin, Tremulacin(8CI), MEGxp0_001328, ACon1_001370, SID:504700679
| Molecular Formula | C27H28O11 |
|---|---|
| Molecular Weight | 528.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 528.16315 |
| Heavy Atoms | 38 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 29836-40-6 |
|---|---|
| SMILES | C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=CC=CC=C4)O |
| InChIKey | RCKCYCDBDYUIGM-LFMHJWGUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tremulacin (CAS 29836-40-6), with molecular formula C27H28O11 and molecular weight 528.16 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]oxan-3-yl] benzoate.
Chemical Property Profile of Tremulacin
Property Insights of Tremulacin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tremulacin. The TPSA of 169.0 Ų indicates high polarity, suggesting Tremulacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tremulacin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tremulacin?
The CAS number of Tremulacin is 29836-40-6.
What is the molecular formula of Tremulacin?
The molecular formula of Tremulacin is C27H28O11.
What is the molecular weight of Tremulacin?
The molecular weight of Tremulacin is 528.16 g/mol.
Where can I buy Tremulacin?
You can request a quote for Tremulacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tremulacin?
Yes, KEHONG BIO provides custom synthesis services for Tremulacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.