Trewsine
TL;DR: Trewsine (CAS 78987-29-8) is a chemical compound with molecular formula C29H37ClN2O8 and molecular weight 576.22 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-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-6,10,12,14(26),16,18-hexaene-8,23-dione
Also Known As: Trewsine
| Molecular Formula | C29H37ClN2O8 |
|---|---|
| Molecular Weight | 576.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 576.2238 |
| Heavy Atoms | 40 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 78987-29-8 |
|---|---|
| SMILES | CC1C2CC(C(C=CC=C(C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)C=CC4(C1O4)C)C)OC)C)OC)(NC(=O)O2)O |
| InChIKey | IDCDDTCALLWKIH-UHFFFAOYSA-N |
Product Overview
Trewsine (CAS 78987-29-8), with molecular formula C29H37ClN2O8 and molecular weight 576.22 g/mol. IUPAC: 11-chloro-21-hydroxy-12,15,20-trimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-6,10,12,14(26),16,18-hexaene-8,23-dione.
Chemical Property Profile of Trewsine
Property Insights of Trewsine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trewsine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trewsine. Following Lipinski's Rule of Five, Trewsine 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 Trewsine?
The CAS number of Trewsine is 78987-29-8.
What is the molecular formula of Trewsine?
The molecular formula of Trewsine is C29H37ClN2O8.
What is the molecular weight of Trewsine?
The molecular weight of Trewsine is 576.22 g/mol.
Where can I buy Trewsine?
You can request a quote for Trewsine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trewsine?
Yes, KEHONG BIO provides custom synthesis services for Trewsine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.