Prednimustine
TL;DR: Prednimustine (CAS 29069-24-7) is a chemical compound with molecular formula C35H45Cl2NO6 and molecular weight 645.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: PREDNIMUSTINE, Sterecyt, Stereocyt, Prednimustina, Prednimustinum
| Molecular Formula | C35H45Cl2NO6 |
|---|---|
| Molecular Weight | 645.26 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 645.2624 |
| Heavy Atoms | 44 |
| Complexity | 1140.0 |
| Melting Point | 163-164 °C |
Chemical Identifiers
| CAS Number | 29069-24-7 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=C[C@]35C)O |
| InChIKey | HFVNWDWLWUCIHC-GUPDPFMOSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prednimustine (CAS 29069-24-7), with molecular formula C35H45Cl2NO6 and molecular weight 645.26 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of Prednimustine
Property Insights of Prednimustine
The XLogP value of 6.0 indicates that Prednimustine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Prednimustine. Following Lipinski's Rule of Five, Prednimustine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prednimustine?
The CAS number of Prednimustine is 29069-24-7.
What is the molecular formula of Prednimustine?
The molecular formula of Prednimustine is C35H45Cl2NO6.
What is the molecular weight of Prednimustine?
The molecular weight of Prednimustine is 645.26 g/mol.
Where can I buy Prednimustine?
You can request a quote for Prednimustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednimustine?
Yes, KEHONG BIO provides custom synthesis services for Prednimustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.