PREDNAZATE
TL;DR: PREDNAZATE (CAS 5714-75-0) is a chemical compound with molecular formula C46H58ClN3O9S and molecular weight 863.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid
Also Known As: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; 4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]-4-oxo-butanoic acid, 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; 4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid, 4-[(11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid--2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol (1/1)
| Molecular Formula | C46H58ClN3O9S |
|---|---|
| Molecular Weight | 863.36 g/mol |
| LogP | 5.92 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 863.3582 |
| Heavy Atoms | 60 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 5714-75-0 |
|---|---|
| SMILES | CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=CC34C)O.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO |
| InChIKey | QKKLKGVIECOSRM-UHFFFAOYSA-N |
Product Overview
PREDNAZATE (CAS 5714-75-0), with molecular formula C46H58ClN3O9S and molecular weight 863.36 g/mol. IUPAC: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid.
Chemical Property Profile of PREDNAZATE
Property Insights of PREDNAZATE
The XLogP value of 5.92 indicates that PREDNAZATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting PREDNAZATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PREDNAZATE has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PREDNAZATE?
The CAS number of PREDNAZATE is 5714-75-0.
What is the molecular formula of PREDNAZATE?
The molecular formula of PREDNAZATE is C46H58ClN3O9S.
What is the molecular weight of PREDNAZATE?
The molecular weight of PREDNAZATE is 863.36 g/mol.
Where can I buy PREDNAZATE?
You can request a quote for PREDNAZATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PREDNAZATE?
Yes, KEHONG BIO provides custom synthesis services for PREDNAZATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.