Allopregnane-3B,16
TL;DR: Allopregnane-3B,16 (CAS 25300-97-4) is a chemical compound with molecular formula C21H36O3 and molecular weight 336.27 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,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-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: Allopregnane-3B,16, AlloProgesterone Impurity 1, Pregnane-3,16,20-triol, KST-1A3157, (3
| Molecular Formula | C21H36O3 |
|---|---|
| Molecular Weight | 336.27 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.26645 |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 25300-97-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)O |
| InChIKey | PYSDRYREDSFAKC-DTRVYOHYSA-N |
Product Overview
Allopregnane-3B,16 (CAS 25300-97-4), with molecular formula C21H36O3 and molecular weight 336.27 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-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 Allopregnane-3B,16
Property Insights of Allopregnane-3B,16
The XLogP value of 4.6 indicates that Allopregnane-3B,16 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Allopregnane-3B,16. Following Lipinski's Rule of Five, Allopregnane-3B,16 has 3 hydrogen bond donor(s) and 3 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 Allopregnane-3B,16?
The CAS number of Allopregnane-3B,16 is 25300-97-4.
What is the molecular formula of Allopregnane-3B,16?
The molecular formula of Allopregnane-3B,16 is C21H36O3.
What is the molecular weight of Allopregnane-3B,16?
The molecular weight of Allopregnane-3B,16 is 336.27 g/mol.
Where can I buy Allopregnane-3B,16?
You can request a quote for Allopregnane-3B,16 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allopregnane-3B,16?
Yes, KEHONG BIO provides custom synthesis services for Allopregnane-3B,16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.