Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)-
TL;DR: Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- (CAS 23944-26-5) is a chemical compound with molecular formula C19H26Cl2N2O2 and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10S,13S,14R,16S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol;dihydrochloride
Also Known As: Norajmaline dihydrochloride, N-Demethylajmaline dihydrochloride, Ajmaline, 1-demethyl-, dihydrochloride, KST-1A3386, (17R,21-alpha)-1-Demethylajmalan-17,21-diol dihydrochloride
| Molecular Formula | C19H26Cl2N2O2 |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 2.3738 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.13715 |
| Heavy Atoms | 25 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 23944-26-5 |
|---|---|
| SMILES | CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3NC6=CC=CC=C65)[C@@H]4O)O.Cl.Cl |
| InChIKey | REQPFTKPFURYAG-YLTCUMHSSA-N |
Product Overview
Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- (CAS 23944-26-5), with molecular formula C19H26Cl2N2O2 and molecular weight 384.14 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol;dihydrochloride.
Chemical Property Profile of Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)-
Property Insights of Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)-
The XLogP value of 2.3738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)-. With a topological polar surface area (TPSA) of 55.7 Ų, Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- has 5 hydrogen bond donor(s) and 4 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, 1-demethyl-, dihydrochloride, (17R,21-alpha)-?
The CAS number of Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- is 23944-26-5.
What is the molecular formula of Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)-?
The molecular formula of Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- is C19H26Cl2N2O2.
What is the molecular weight of Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)-?
The molecular weight of Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- is 384.14 g/mol.
Where can I buy Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)-?
You can request a quote for Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- 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, 1-demethyl-, dihydrochloride, (17R,21-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Ajmalan-17,21-diol, 1-demethyl-, dihydrochloride, (17R,21-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.