3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1)
TL;DR: 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) (CAS 29847-81-2) is a chemical compound with molecular formula C22H38ClNO2 and molecular weight 383.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrochloride
Also Known As: Paravallarinol HCl, Paravallarinol hydrochloride, 3-beta-Methylaminopregn-5-ene-18,20-diol hydrochloride, 18,20-Dihydroxy-3-beta-methylaminopregn-5-ene hydrochloride, Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-, hydrochloride
| Molecular Formula | C22H38ClNO2 |
|---|---|
| Molecular Weight | 383.26 g/mol |
| LogP | 3.9284 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.2591 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 29847-81-2 |
|---|---|
| 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)NC)C)CO)O.Cl |
| InChIKey | PGWULGXBIKWEDM-RZKNDPLNSA-N |
Product Overview
3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) (CAS 29847-81-2), with molecular formula C22H38ClNO2 and molecular weight 383.26 g/mol. IUPAC: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrochloride.
Chemical Property Profile of 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1)
Property Insights of 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1)
The XLogP value of 3.9284 indicates that 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) has 4 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 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1)?
The CAS number of 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) is 29847-81-2.
What is the molecular formula of 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1)?
The molecular formula of 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) is C22H38ClNO2.
What is the molecular weight of 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1)?
The molecular weight of 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) is 383.26 g/mol.
Where can I buy 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1)?
You can request a quote for 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.