Pentarane A
TL;DR: Pentarane A (CAS 4916-59-0) is a chemical compound with molecular formula C25H36O2 and molecular weight 368.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,4bS,6aS,6bS,10aR,11aS,11bR)-6b-acetyl-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one
Also Known As: Pentarane A, 16alpha,17alpha-Cyclohexanoprogesterone, 16,24-Cyclo-21-norchol-4-en-3-one, 17-acetyl-, (16beta,17alpha)-, 16alpha,17alpha-Cyclohexanopregn-4-ene-3,20-dione, 16alpha,17alpha-Tetramethylenepregn-4-ene-3,20-dione
| Molecular Formula | C25H36O2 |
|---|---|
| Molecular Weight | 368.27 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.27155 |
| Heavy Atoms | 27 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 4916-59-0 |
|---|---|
| SMILES | CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C |
| InChIKey | QRVBGQLTPQQFJY-IEHCJHDVSA-N |
Product Overview
Pentarane A (CAS 4916-59-0), with molecular formula C25H36O2 and molecular weight 368.27 g/mol. IUPAC: (4aR,4bS,6aS,6bS,10aR,11aS,11bR)-6b-acetyl-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one.
Chemical Property Profile of Pentarane A
Property Insights of Pentarane A
The XLogP value of 5.5 indicates that Pentarane A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Pentarane A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentarane A has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentarane A?
The CAS number of Pentarane A is 4916-59-0.
What is the molecular formula of Pentarane A?
The molecular formula of Pentarane A is C25H36O2.
What is the molecular weight of Pentarane A?
The molecular weight of Pentarane A is 368.27 g/mol.
Where can I buy Pentarane A?
You can request a quote for Pentarane A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentarane A?
Yes, KEHONG BIO provides custom synthesis services for Pentarane A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.