Gramicidin S dihydrochloride
TL;DR: Gramicidin S dihydrochloride (CAS 183-88-0) is a chemical compound with molecular formula C60H94Cl2N12O10 and molecular weight 1212.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone;dihydrochloride
Also Known As: Gramicidin S dihydrochloride, Gramicidin S hydrochloride, Gramicidin S 2HCl, Gramicidin S, dihydrochloride, Gramicidin S hydrochloride (JAN)
| Molecular Formula | C60H94Cl2N12O10 |
|---|---|
| Molecular Weight | 1212.66 g/mol |
| LogP | 2.0714 |
| Topological Polar Surface Area | 325.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 1212.6593 |
| Heavy Atoms | 84 |
| Complexity | 2020.0 |
Chemical Identifiers
| CAS Number | 183-88-0 |
|---|---|
| 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)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5.Cl.Cl |
| InChIKey | KCUAVDXLFXNGDG-MZFDKZDRSA-N |
Product Overview
Gramicidin S dihydrochloride (CAS 183-88-0), with molecular formula C60H94Cl2N12O10 and molecular weight 1212.66 g/mol. IUPAC: (3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone;dihydrochloride.
Chemical Property Profile of Gramicidin S dihydrochloride
Property Insights of Gramicidin S dihydrochloride
The XLogP value of 2.0714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gramicidin S dihydrochloride. The TPSA of 325.0 Ų indicates high polarity, suggesting Gramicidin S dihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gramicidin S dihydrochloride has 12 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 Gramicidin S dihydrochloride?
The CAS number of Gramicidin S dihydrochloride is 183-88-0.
What is the molecular formula of Gramicidin S dihydrochloride?
The molecular formula of Gramicidin S dihydrochloride is C60H94Cl2N12O10.
What is the molecular weight of Gramicidin S dihydrochloride?
The molecular weight of Gramicidin S dihydrochloride is 1212.66 g/mol.
Where can I buy Gramicidin S dihydrochloride?
You can request a quote for Gramicidin S dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gramicidin S dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Gramicidin S dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.