Edonentan Hydrate
TL;DR: Edonentan Hydrate (CAS 264609-13-4) is a chemical compound with molecular formula C28H34N4O6S and molecular weight 554.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,3,3-trimethylbutanamide;hydrate
Also Known As: Edonentan, Edonentan monohydrate, Edonentan Hydrate, Edonentan [USAN], Edonentan (hydrate)
| Molecular Formula | C28H34N4O6S |
|---|---|
| Molecular Weight | 554.22 g/mol |
| LogP | 4.98414 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 554.2199 |
| Heavy Atoms | 39 |
| Complexity | 904.0 |
Chemical Identifiers
| CAS Number | 264609-13-4 |
|---|---|
| SMILES | CC1=C(ON=C1NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)C4=NC=CO4)CN(C)C(=O)CC(C)(C)C)C.O |
| InChIKey | VRUJTPHFVRXEPB-UHFFFAOYSA-N |
Product Overview
Edonentan Hydrate (CAS 264609-13-4), with molecular formula C28H34N4O6S and molecular weight 554.22 g/mol. IUPAC: N-[[2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,3,3-trimethylbutanamide;hydrate.
Chemical Property Profile of Edonentan Hydrate
Property Insights of Edonentan Hydrate
The XLogP value of 4.98414 indicates that Edonentan Hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Edonentan Hydrate. Following Lipinski's Rule of Five, Edonentan Hydrate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Edonentan Hydrate?
The CAS number of Edonentan Hydrate is 264609-13-4.
What is the molecular formula of Edonentan Hydrate?
The molecular formula of Edonentan Hydrate is C28H34N4O6S.
What is the molecular weight of Edonentan Hydrate?
The molecular weight of Edonentan Hydrate is 554.22 g/mol.
Where can I buy Edonentan Hydrate?
You can request a quote for Edonentan Hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Edonentan Hydrate?
Yes, KEHONG BIO provides custom synthesis services for Edonentan Hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.