3-Aminospirostan-6-ol
TL;DR: 3-Aminospirostan-6-ol (CAS 23656-00-0) is a chemical compound with molecular formula C27H45NO3 and molecular weight 431.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16S,18S,19S)-16-amino-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-ol
Also Known As: Isojuripidine, 3-Aminospirostan-6-ol, KST-1A3345, (3, A,5
| Molecular Formula | C27H45NO3 |
|---|---|
| Molecular Weight | 431.34 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 431.33994 |
| Heavy Atoms | 31 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 23656-00-0 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)N)C)O)C)C)OC1 |
| InChIKey | YQYXKZJKLISVTR-RMOAROBGSA-N |
Product Overview
3-Aminospirostan-6-ol (CAS 23656-00-0), with molecular formula C27H45NO3 and molecular weight 431.34 g/mol. IUPAC: (1R,2S,4S,5'R,7S,8R,9S,12S,13R,16S,18S,19S)-16-amino-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-ol.
Chemical Property Profile of 3-Aminospirostan-6-ol
Property Insights of 3-Aminospirostan-6-ol
The XLogP value of 4.9 indicates that 3-Aminospirostan-6-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminospirostan-6-ol. Following Lipinski's Rule of Five, 3-Aminospirostan-6-ol has 2 hydrogen bond donor(s) and 4 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 3-Aminospirostan-6-ol?
The CAS number of 3-Aminospirostan-6-ol is 23656-00-0.
What is the molecular formula of 3-Aminospirostan-6-ol?
The molecular formula of 3-Aminospirostan-6-ol is C27H45NO3.
What is the molecular weight of 3-Aminospirostan-6-ol?
The molecular weight of 3-Aminospirostan-6-ol is 431.34 g/mol.
Where can I buy 3-Aminospirostan-6-ol?
You can request a quote for 3-Aminospirostan-6-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminospirostan-6-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminospirostan-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.