(3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one
TL;DR: (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one (CAS 570-78-5) is a chemical compound with molecular formula C21H34O3 and molecular weight 334.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: diolone, 6-alpha-Hydroxypregnanolone, Pregnan-3,6-diol-20-one, 6?-Hydroxypregnanolone, 6alpha-Hydroxypregnanolone
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.2508 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 570-78-5 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | HHUZGDMRRLQZIQ-PXWUZWBYSA-N |
Product Overview
(3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one (CAS 570-78-5), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one
Property Insights of (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one
The XLogP value of 3.5 indicates that (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one has 2 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 (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one?
The CAS number of (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one is 570-78-5.
What is the molecular formula of (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one?
The molecular formula of (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one is C21H34O3.
What is the molecular weight of (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one?
The molecular weight of (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one is 334.25 g/mol.
Where can I buy (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one?
You can request a quote for (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,5beta,6alpha)-3,6-Dihydroxypregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.