(2,2'-N(delta)-Trimethylornithyl)gramicidin S
TL;DR: (2,2'-N(delta)-Trimethylornithyl)gramicidin S (CAS 83573-52-8) is a chemical compound with molecular formula C66H106Cl2N12O10 and molecular weight 1296.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32-decaoxo-12,30-di(propan-2-yl)-27-[3-(trimethylazaniumyl)propyl]-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontan-9-yl]propyl-trimethylazanium dichloride
Also Known As: (2,2'-N(delta)-Trimethylornithyl)gramicidin S, 5-(5-(Trimethylammonio)-L-norvaline)-10-(5-(trimethylammonio)-L-norvaline)gramicidin S dichloride, Gramicidin S, 5-(5-(trimethylammonio)-L-norvaline)-10-(5-(trimethylammonio)-L-norvaline)-, dichloride
| Molecular Formula | C66H106Cl2N12O10 |
|---|---|
| Molecular Weight | 1296.75 g/mol |
| LogP | -3.2692 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 1296.7532 |
| Heavy Atoms | 90 |
| Complexity | 2200.0 |
Chemical Identifiers
| CAS Number | 83573-52-8 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC[N+](C)(C)C)C(C)C)CC4=CC=CC=C4)CC(C)C)CCC[N+](C)(C)C)C(C)C)CC5=CC=CC=C5.[Cl-].[Cl-] |
| InChIKey | JAZMAZTWFPOCLY-SELRRACZSA-N |
Product Overview
(2,2'-N(delta)-Trimethylornithyl)gramicidin S (CAS 83573-52-8), with molecular formula C66H106Cl2N12O10 and molecular weight 1296.75 g/mol. IUPAC: 3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32-decaoxo-12,30-di(propan-2-yl)-27-[3-(trimethylazaniumyl)propyl]-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontan-9-yl]propyl-trimethylazanium dichloride.
Chemical Property Profile of (2,2'-N(delta)-Trimethylornithyl)gramicidin S
Property Insights of (2,2'-N(delta)-Trimethylornithyl)gramicidin S
The XLogP value of -3.2692 indicates that (2,2'-N(delta)-Trimethylornithyl)gramicidin S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 273.0 Ų indicates high polarity, suggesting (2,2'-N(delta)-Trimethylornithyl)gramicidin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,2'-N(delta)-Trimethylornithyl)gramicidin S has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,2'-N(delta)-Trimethylornithyl)gramicidin S?
The CAS number of (2,2'-N(delta)-Trimethylornithyl)gramicidin S is 83573-52-8.
What is the molecular formula of (2,2'-N(delta)-Trimethylornithyl)gramicidin S?
The molecular formula of (2,2'-N(delta)-Trimethylornithyl)gramicidin S is C66H106Cl2N12O10.
What is the molecular weight of (2,2'-N(delta)-Trimethylornithyl)gramicidin S?
The molecular weight of (2,2'-N(delta)-Trimethylornithyl)gramicidin S is 1296.75 g/mol.
Where can I buy (2,2'-N(delta)-Trimethylornithyl)gramicidin S?
You can request a quote for (2,2'-N(delta)-Trimethylornithyl)gramicidin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2'-N(delta)-Trimethylornithyl)gramicidin S?
Yes, KEHONG BIO provides custom synthesis services for (2,2'-N(delta)-Trimethylornithyl)gramicidin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.