Fenesterin.
TL;DR: Fenesterin. (CAS 3546-10-9) is a chemical compound with molecular formula C39H59Cl2NO2 and molecular weight 643.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Fenesterin., PHENESTERIN, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
| Molecular Formula | C39H59Cl2NO2 |
|---|---|
| Molecular Weight | 643.39 g/mol |
| LogP | 12.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 643.3923 |
| Heavy Atoms | 44 |
| Complexity | 969.0 |
Chemical Identifiers
| CAS Number | 3546-10-9 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C |
| InChIKey | SPJCRMJCFSJKDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fenesterin. (CAS 3546-10-9), with molecular formula C39H59Cl2NO2 and molecular weight 643.39 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of Fenesterin.
Property Insights of Fenesterin.
The XLogP value of 12.0 indicates that Fenesterin. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Fenesterin. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fenesterin. has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fenesterin.?
The CAS number of Fenesterin. is 3546-10-9.
What is the molecular formula of Fenesterin.?
The molecular formula of Fenesterin. is C39H59Cl2NO2.
What is the molecular weight of Fenesterin.?
The molecular weight of Fenesterin. is 643.39 g/mol.
Where can I buy Fenesterin.?
You can request a quote for Fenesterin. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fenesterin.?
Yes, KEHONG BIO provides custom synthesis services for Fenesterin. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.