(4,4'-Dehydrophenylalanine)gramicidin S
TL;DR: (4,4'-Dehydrophenylalanine)gramicidin S (CAS 112209-92-4) is a chemical compound with molecular formula C60H88N12O10 and molecular weight 1136.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,21E)-9,27-bis(3-aminopropyl)-3,21-dibenzylidene-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
Also Known As: Phe-gramicidin S, (4,4'-Dehydrophenylalanine)gramicidin S, 2-((Z)-alpha,beta-didehydrophenylalanine)-7-((Z)-alpha,beta-didehydrophenylalanine)gramicidin S, (3E,21E)-9,27-bis(3-aminopropyl)-3,21-dibenzylidene-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, Gramicidin S, 2-((Z)-alpha,beta-didehydrophenylalanine)-7-((Z)-alpha,beta-didehydrophenylalanine)-
| Molecular Formula | C60H88N12O10 |
|---|---|
| Molecular Weight | 1136.67 g/mol |
| LogP | 2.0874 |
| Topological Polar Surface Area | 325.46 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 1136.6747 |
| Heavy Atoms | 82 |
| Complexity | 2448.3816 |
Chemical Identifiers
| CAS Number | 112209-92-4 |
|---|---|
| SMILES | CC(CC1NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)/C(=C\C3=CC=CC=C3)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4N(C(=O)/C(=C\C5=CC=CC=C5)/NC1=O)CCC4)C(C)C)CCCN)CC(C)C)CCC2)C(C)C)CCCN)C |
Product Overview
(4,4'-Dehydrophenylalanine)gramicidin S (CAS 112209-92-4), with molecular formula C60H88N12O10 and molecular weight 1136.67 g/mol. IUPAC: (3E,21E)-9,27-bis(3-aminopropyl)-3,21-dibenzylidene-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.
Chemical Property Profile of (4,4'-Dehydrophenylalanine)gramicidin S
Property Insights of (4,4'-Dehydrophenylalanine)gramicidin S
The XLogP value of 2.0874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,4'-Dehydrophenylalanine)gramicidin S. The TPSA of 325.46 Ų indicates high polarity, suggesting (4,4'-Dehydrophenylalanine)gramicidin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4,4'-Dehydrophenylalanine)gramicidin S has 10 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 (4,4'-Dehydrophenylalanine)gramicidin S?
The CAS number of (4,4'-Dehydrophenylalanine)gramicidin S is 112209-92-4.
What is the molecular formula of (4,4'-Dehydrophenylalanine)gramicidin S?
The molecular formula of (4,4'-Dehydrophenylalanine)gramicidin S is C60H88N12O10.
What is the molecular weight of (4,4'-Dehydrophenylalanine)gramicidin S?
The molecular weight of (4,4'-Dehydrophenylalanine)gramicidin S is 1136.67 g/mol.
Where can I buy (4,4'-Dehydrophenylalanine)gramicidin S?
You can request a quote for (4,4'-Dehydrophenylalanine)gramicidin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4'-Dehydrophenylalanine)gramicidin S?
Yes, KEHONG BIO provides custom synthesis services for (4,4'-Dehydrophenylalanine)gramicidin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.