25-Isosolafloridine
TL;DR: 25-Isosolafloridine (CAS 41034-52-0) is a chemical compound with molecular formula C27H45NO2 and molecular weight 415.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Also Known As: 25-Isosolafloridine, (25S)-Isosolafloridine, KST-1A4701, KST-1A4702, 2-[amino-(4-chloro-phenyl)-methyl]-indan-1-ol
| Molecular Formula | C27H45NO2 |
|---|---|
| Molecular Weight | 415.35 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.34503 |
| Heavy Atoms | 30 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 41034-52-0 |
|---|---|
| SMILES | C[C@H]1CCC(=NC1)[C@@H](C)C2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O |
| InChIKey | HFOSABNORYNULM-QMOSAJSQSA-N |
Product Overview
25-Isosolafloridine (CAS 41034-52-0), with molecular formula C27H45NO2 and molecular weight 415.35 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol.
Chemical Property Profile of 25-Isosolafloridine
Property Insights of 25-Isosolafloridine
The XLogP value of 5.4 indicates that 25-Isosolafloridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, 25-Isosolafloridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 25-Isosolafloridine has 2 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 25-Isosolafloridine?
The CAS number of 25-Isosolafloridine is 41034-52-0.
What is the molecular formula of 25-Isosolafloridine?
The molecular formula of 25-Isosolafloridine is C27H45NO2.
What is the molecular weight of 25-Isosolafloridine?
The molecular weight of 25-Isosolafloridine is 415.35 g/mol.
Where can I buy 25-Isosolafloridine?
You can request a quote for 25-Isosolafloridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 25-Isosolafloridine?
Yes, KEHONG BIO provides custom synthesis services for 25-Isosolafloridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.