J2.331.086D
TL;DR: J2.331.086D (CAS 240805-96-3) is a chemical compound with molecular formula C33H41NO4 and molecular weight 515.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: J2.331.086D, 19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-(4-(1-piperidinyl)phenyl)-, (11beta)-, [(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate, 11beta-(4-Piperidinophenyl)-17alpha-acetoxy-19-norpregna-4,9-diene-3,20-dione, (1R,3aS,3bS,10R,11aS)-1-acetyl-11a-methyl-7-oxo-10-[4-(piperidin-1-yl)phenyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
| Molecular Formula | C33H41NO4 |
|---|---|
| Molecular Weight | 515.30 g/mol |
| LogP | 6.4673 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.3036 |
| Heavy Atoms | 38 |
| Complexity | 1219.8862 |
Chemical Identifiers
| CAS Number | 240805-96-3 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N6CCCCC6)C)OC(=O)C |
Product Overview
J2.331.086D (CAS 240805-96-3), with molecular formula C33H41NO4 and molecular weight 515.30 g/mol. IUPAC: [(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of J2.331.086D
Property Insights of J2.331.086D
The XLogP value of 6.4673 indicates that J2.331.086D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.331.086D. Following Lipinski's Rule of Five, J2.331.086D has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J2.331.086D?
The CAS number of J2.331.086D is 240805-96-3.
What is the molecular formula of J2.331.086D?
The molecular formula of J2.331.086D is C33H41NO4.
What is the molecular weight of J2.331.086D?
The molecular weight of J2.331.086D is 515.30 g/mol.
Where can I buy J2.331.086D?
You can request a quote for J2.331.086D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.331.086D?
Yes, KEHONG BIO provides custom synthesis services for J2.331.086D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.