CCRIS 5394
TL;DR: CCRIS 5394 (CAS 98911-23-0) is a chemical compound with molecular formula C20H26ClNO10 and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-chlorophenoxy)phenyl]-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide;dihydrate
Also Known As: C20H22ClNO8.1/2H2O, C20-H22-Cl-N-O8.1/2H2-O, N-Acetyl-4-(4-chlorophenoxy)anilino beta-D-glycopyranoside, Acetohydroxamic acid, N-(p-(p-chlorophenoxy)phenyl)-O-beta-D-glucopyranosyl-, hydrate (2:1), N-Acetyl-4-(4-chlorophenoxy)anilino-beta-D-glucopyranoside hemihydrate
| Molecular Formula | C20H26ClNO10 |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | -0.4327 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1245 |
| Heavy Atoms | 32 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 98911-23-0 |
|---|---|
| SMILES | CC(=O)N(C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O.O.O |
| InChIKey | APHNZXBLCZOYGF-NNZJJMFZSA-N |
Product Overview
CCRIS 5394 (CAS 98911-23-0), with molecular formula C20H26ClNO10 and molecular weight 475.12 g/mol. IUPAC: N-[4-(4-chlorophenoxy)phenyl]-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide;dihydrate.
Chemical Property Profile of CCRIS 5394
Property Insights of CCRIS 5394
The XLogP value of -0.4327 indicates that CCRIS 5394 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 5394. Following Lipinski's Rule of Five, CCRIS 5394 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CCRIS 5394?
The CAS number of CCRIS 5394 is 98911-23-0.
What is the molecular formula of CCRIS 5394?
The molecular formula of CCRIS 5394 is C20H26ClNO10.
What is the molecular weight of CCRIS 5394?
The molecular weight of CCRIS 5394 is 475.12 g/mol.
Where can I buy CCRIS 5394?
You can request a quote for CCRIS 5394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 5394?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 5394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.