(3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol
TL;DR: (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol (CAS 2309-39-9) is a chemical compound with molecular formula C23H39NO and molecular weight 345.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Irehine, Buxomegine, (+)-Irehine, (20S)-20-Dimethylaminopregn-5-en-3beta-ol, (20S)-20-(Dimethylamino)pregn-5-en-3beta-ol
| Molecular Formula | C23H39NO |
|---|---|
| Molecular Weight | 345.30 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.30316 |
| Heavy Atoms | 25 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 2309-39-9 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)N(C)C |
| InChIKey | UJGXCOFZMJCRLN-VBFLNORGSA-N |
Product Overview
(3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol (CAS 2309-39-9), with molecular formula C23H39NO and molecular weight 345.30 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol
Property Insights of (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol
The XLogP value of 5.3 indicates that (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol has 1 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 (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol?
The CAS number of (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol is 2309-39-9.
What is the molecular formula of (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol?
The molecular formula of (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol is C23H39NO.
What is the molecular weight of (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol?
The molecular weight of (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol is 345.30 g/mol.
Where can I buy (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol?
You can request a quote for (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol?
Yes, KEHONG BIO provides custom synthesis services for (3beta,20S)-20-(Dimethylamino)pregn-5-en-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.