bisnorcholenaldehyde
TL;DR: bisnorcholenaldehyde (CAS 52457-54-2) is a chemical compound with molecular formula C22H32O2 and molecular weight 328.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal
Also Known As: bisnorcholenaldehyde, PROGESTERONE IMPURITY 24, Progesterone EP Impurity I (S-Isomer), 3-Oxo-4-pregnen-20beta-aldehyde, KST-1A5315
| Molecular Formula | C22H32O2 |
|---|---|
| Molecular Weight | 328.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.24023 |
| Heavy Atoms | 24 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 52457-54-2 |
|---|---|
| SMILES | C[C@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| InChIKey | XVPJEGGIGJLDQK-HOFZUOGSSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
bisnorcholenaldehyde (CAS 52457-54-2), with molecular formula C22H32O2 and molecular weight 328.24 g/mol. IUPAC: (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal.
Chemical Property Profile of bisnorcholenaldehyde
Property Insights of bisnorcholenaldehyde
The XLogP value of 4.6 indicates that bisnorcholenaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, bisnorcholenaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, bisnorcholenaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of bisnorcholenaldehyde?
The CAS number of bisnorcholenaldehyde is 52457-54-2.
What is the molecular formula of bisnorcholenaldehyde?
The molecular formula of bisnorcholenaldehyde is C22H32O2.
What is the molecular weight of bisnorcholenaldehyde?
The molecular weight of bisnorcholenaldehyde is 328.24 g/mol.
Where can I buy bisnorcholenaldehyde?
You can request a quote for bisnorcholenaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bisnorcholenaldehyde?
Yes, KEHONG BIO provides custom synthesis services for bisnorcholenaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.