J2.781.482D
TL;DR: J2.781.482D (CAS 81047-65-6) is a chemical compound with molecular formula C39H64O6 and molecular weight 628.47 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-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
Also Known As: J2.781.482D, 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl octadecanoate, 11beta,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl octadecanoate, [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,, [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
| Molecular Formula | C39H64O6 |
|---|---|
| Molecular Weight | 628.47 g/mol |
| LogP | 10.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 628.4703 |
| Heavy Atoms | 45 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 81047-65-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O |
| InChIKey | ZNXLGTDYZRMREH-CLIMURTFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J2.781.482D (CAS 81047-65-6), with molecular formula C39H64O6 and molecular weight 628.47 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate.
Chemical Property Profile of J2.781.482D
Property Insights of J2.781.482D
The XLogP value of 10.7 indicates that J2.781.482D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.781.482D. Following Lipinski's Rule of Five, J2.781.482D has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J2.781.482D?
The CAS number of J2.781.482D is 81047-65-6.
What is the molecular formula of J2.781.482D?
The molecular formula of J2.781.482D is C39H64O6.
What is the molecular weight of J2.781.482D?
The molecular weight of J2.781.482D is 628.47 g/mol.
Where can I buy J2.781.482D?
You can request a quote for J2.781.482D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.781.482D?
Yes, KEHONG BIO provides custom synthesis services for J2.781.482D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.