Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-
TL;DR: Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- (CAS 107870-71-3) is a chemical compound with molecular formula C23H31BrN2O2 and molecular weight 446.16 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-methyl-15-prop-2-enyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol bromide
Also Known As: N(sup 4)-Allylajmalinium bromide, N(sup 6)-Allylajmalinium bromide, Ajmalinium, N(sup 4)-allyl-, bromide, N(sup 6)-Allylajmalinium bromide (7CI), (17R,21-alpha)-17,21-Dihydroxy-4-(2-propenyl)ajmalanium bromide
| Molecular Formula | C23H31BrN2O2 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | -0.7407 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.1569 |
| Heavy Atoms | 28 |
| Complexity | 832.57526 |
Chemical Identifiers
| CAS Number | 107870-71-3 |
|---|---|
| SMILES | CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC=C)O.[Br-] |
Product Overview
Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- (CAS 107870-71-3), with molecular formula C23H31BrN2O2 and molecular weight 446.16 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-8-methyl-15-prop-2-enyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol bromide.
Chemical Property Profile of Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-
Property Insights of Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-
The XLogP value of -0.7407 indicates that Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.7 Ų, Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- 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 Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-?
The CAS number of Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- is 107870-71-3.
What is the molecular formula of Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-?
The molecular formula of Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- is C23H31BrN2O2.
What is the molecular weight of Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-?
The molecular weight of Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- is 446.16 g/mol.
Where can I buy Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-?
You can request a quote for Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (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 Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.