Ajmalan-17,21-diol--ethanol (1/1)
TL;DR: Ajmalan-17,21-diol--ethanol (1/1) (CAS 60991-48-2) is a chemical compound with molecular formula C22H32N2O3 and molecular weight 372.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethanol;(1S,9R,10R,12R,13R,14S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Also Known As: Ajmalan-17,21-diol--ethanol (1/1), 3beta,7alpha,16xi,20alpha-Ajmalan-17,21beta-diol--ethanol (1/1)
| Molecular Formula | C22H32N2O3 |
|---|---|
| Molecular Weight | 372.24 g/mol |
| LogP | 1.5531 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.2413 |
| Heavy Atoms | 27 |
| Complexity | 742.023 |
Chemical Identifiers
| CAS Number | 60991-48-2 |
|---|---|
| SMILES | CC[C@@H]1[C@@H]2C[C@@H]3[C@H]4[C@]5(C[C@@H](C2C5O)N3[C@H]1O)C6=CC=CC=C6N4C.CCO |
Product Overview
Ajmalan-17,21-diol--ethanol (1/1) (CAS 60991-48-2), with molecular formula C22H32N2O3 and molecular weight 372.24 g/mol. IUPAC: ethanol;(1S,9R,10R,12R,13R,14S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.
Chemical Property Profile of Ajmalan-17,21-diol--ethanol (1/1)
Property Insights of Ajmalan-17,21-diol--ethanol (1/1)
The XLogP value of 1.5531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajmalan-17,21-diol--ethanol (1/1). The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajmalan-17,21-diol--ethanol (1/1). Following Lipinski's Rule of Five, Ajmalan-17,21-diol--ethanol (1/1) has 3 hydrogen bond donor(s) and 5 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 Ajmalan-17,21-diol--ethanol (1/1)?
The CAS number of Ajmalan-17,21-diol--ethanol (1/1) is 60991-48-2.
What is the molecular formula of Ajmalan-17,21-diol--ethanol (1/1)?
The molecular formula of Ajmalan-17,21-diol--ethanol (1/1) is C22H32N2O3.
What is the molecular weight of Ajmalan-17,21-diol--ethanol (1/1)?
The molecular weight of Ajmalan-17,21-diol--ethanol (1/1) is 372.24 g/mol.
Where can I buy Ajmalan-17,21-diol--ethanol (1/1)?
You can request a quote for Ajmalan-17,21-diol--ethanol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmalan-17,21-diol--ethanol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ajmalan-17,21-diol--ethanol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.