N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate
TL;DR: N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate (CAS 79731-87-6) is a chemical compound with molecular formula C27H38BrN2O8+ and molecular weight 597.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid
Also Known As: N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate, Ajmalanium, 10-bromo-17,21-dihydroxy-4-propyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1), AJMALANIUM,10-BROMO-17,21-DIHYDROXY-4-PROPYL-,(17R,21-A)-,SALT WITH (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOIC ACID (1:1)
| Molecular Formula | C27H38BrN2O8+ |
|---|---|
| Molecular Weight | 597.18 g/mol |
| LogP | 1.1192 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 597.18115 |
| Heavy Atoms | 38 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 79731-87-6 |
|---|---|
| SMILES | CCC[N+]12C3CC(C(C1O)CC)C4C2CC5(C3N(C6=C5C=C(C=C6)Br)C)C4O.C(C(C(=O)O)O)(C(=O)O)O |
| InChIKey | XXHHFLWSPHLXOA-UHFFFAOYSA-N |
Product Overview
N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate (CAS 79731-87-6), with molecular formula C27H38BrN2O8+ and molecular weight 597.18 g/mol. IUPAC: 4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid.
Chemical Property Profile of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate
Property Insights of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate
The XLogP value of 1.1192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate. The TPSA of 159.0 Ų indicates high polarity, suggesting N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate?
The CAS number of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate is 79731-87-6.
What is the molecular formula of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate?
The molecular formula of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate is C27H38BrN2O8+.
What is the molecular weight of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate?
The molecular weight of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate is 597.18 g/mol.
Where can I buy N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate?
You can request a quote for N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate?
Yes, KEHONG BIO provides custom synthesis services for N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.