帕拉瓦拉醇氢溴酸盐
TL;DR: 帕拉瓦拉醇氢溴酸盐 (CAS 29847-80-1) is a chemical compound with molecular formula C22H38BrNO2 and molecular weight 427.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
帕拉瓦拉醇氢溴酸盐
(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;hydrobromide
Also Known As: Paravallarinol hydrobromide, 3-beta-Methylaminopregn-5-ene-18,20-diol hydrobromide, 18,20-Dihydroxy-3-beta-methylaminopregn-5-ene hydrobromide, Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-, hydrobromide, Pregn-5-ene-18,20alpha-diol, 3beta-(methylamino)-, hydrobromide
| Molecular Formula | C22H38BrNO2 |
|---|---|
| Molecular Weight | 427.21 g/mol |
| LogP | 4.0845 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.2086 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 29847-80-1 |
|---|---|
| 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.Br |
| InChIKey | DMJSWWCAOUIXTN-RZKNDPLNSA-N |
Product Overview
帕拉瓦拉醇氢溴酸盐 (CAS 29847-80-1), with molecular formula C22H38BrNO2 and molecular weight 427.21 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;hydrobromide.
Chemical Property Profile of 帕拉瓦拉醇氢溴酸盐
Property Insights of 帕拉瓦拉醇氢溴酸盐
The XLogP value of 4.0845 indicates that 帕拉瓦拉醇氢溴酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 帕拉瓦拉醇氢溴酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 帕拉瓦拉醇氢溴酸盐 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 帕拉瓦拉醇氢溴酸盐?
The CAS number of 帕拉瓦拉醇氢溴酸盐 is 29847-80-1.
What is the molecular formula of 帕拉瓦拉醇氢溴酸盐?
The molecular formula of 帕拉瓦拉醇氢溴酸盐 is C22H38BrNO2.
What is the molecular weight of 帕拉瓦拉醇氢溴酸盐?
The molecular weight of 帕拉瓦拉醇氢溴酸盐 is 427.21 g/mol.
Where can I buy 帕拉瓦拉醇氢溴酸盐?
You can request a quote for 帕拉瓦拉醇氢溴酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 帕拉瓦拉醇氢溴酸盐?
Yes, KEHONG BIO provides custom synthesis services for 帕拉瓦拉醇氢溴酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.