Treflorine
TL;DR: Treflorine (CAS 79101-55-6) is a chemical compound with molecular formula C36H48ClN3O12 and molecular weight 749.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-chloro-10,25-dihydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.16,10.117,21.02,4]tetratriaconta-12,14,17(33),18,20-pentaene-8,26,29,32-tetrone
Also Known As: Treflorine
| Molecular Formula | C36H48ClN3O12 |
|---|---|
| Molecular Weight | 749.29 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 749.29266 |
| Heavy Atoms | 52 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 79101-55-6 |
|---|---|
| SMILES | CC1C2CC(C(C=CC=C(C(C3=CC(=C(C(=C3)OC)Cl)N4CCC(C(=O)NC(C(=O)OC(CC4=O)C5(C1O5)C)C)(C)O)OC)C)OC)(NC(=O)O2)O |
| InChIKey | HJMFGZLTPOZCFX-UHFFFAOYSA-N |
Product Overview
Treflorine (CAS 79101-55-6), with molecular formula C36H48ClN3O12 and molecular weight 749.29 g/mol. IUPAC: 20-chloro-10,25-dihydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.16,10.117,21.02,4]tetratriaconta-12,14,17(33),18,20-pentaene-8,26,29,32-tetrone.
Chemical Property Profile of Treflorine
Property Insights of Treflorine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Treflorine. The TPSA of 195.0 Ų indicates high polarity, suggesting Treflorine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Treflorine has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Treflorine?
The CAS number of Treflorine is 79101-55-6.
What is the molecular formula of Treflorine?
The molecular formula of Treflorine is C36H48ClN3O12.
What is the molecular weight of Treflorine?
The molecular weight of Treflorine is 749.29 g/mol.
Where can I buy Treflorine?
You can request a quote for Treflorine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Treflorine?
Yes, KEHONG BIO provides custom synthesis services for Treflorine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.