Demethyltrewiasine
TL;DR: Demethyltrewiasine (CAS 78987-28-7) is a chemical compound with molecular formula C36H50ClN3O11 and molecular weight 735.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-chloro-21-hydroxy-12,15,20-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl) 2-(2-methylpropanoylamino)propanoate
Also Known As: Demethyltrewiasine, DEMETHYLTREWIASINE B820915K135
| Molecular Formula | C36H50ClN3O11 |
|---|---|
| Molecular Weight | 735.31 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 735.3134 |
| Heavy Atoms | 51 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 78987-28-7 |
|---|---|
| SMILES | CC1C2CC(C(C=CC=C(C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)NC(=O)C(C)C)C)OC)C)OC)(NC(=O)O2)O |
| InChIKey | ZOEMEKDIPYTCFY-UHFFFAOYSA-N |
Product Overview
Demethyltrewiasine (CAS 78987-28-7), with molecular formula C36H50ClN3O11 and molecular weight 735.31 g/mol. IUPAC: (11-chloro-21-hydroxy-12,15,20-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl) 2-(2-methylpropanoylamino)propanoate.
Chemical Property Profile of Demethyltrewiasine
Property Insights of Demethyltrewiasine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethyltrewiasine. The TPSA of 174.0 Ų indicates high polarity, suggesting Demethyltrewiasine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethyltrewiasine has 3 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 Demethyltrewiasine?
The CAS number of Demethyltrewiasine is 78987-28-7.
What is the molecular formula of Demethyltrewiasine?
The molecular formula of Demethyltrewiasine is C36H50ClN3O11.
What is the molecular weight of Demethyltrewiasine?
The molecular weight of Demethyltrewiasine is 735.31 g/mol.
Where can I buy Demethyltrewiasine?
You can request a quote for Demethyltrewiasine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethyltrewiasine?
Yes, KEHONG BIO provides custom synthesis services for Demethyltrewiasine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.