Permetin A
TL;DR: Permetin A (CAS 71888-70-5) is a chemical compound with molecular formula C54H92N12O12 and molecular weight 1100.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,21,27-tris(2-aminoethyl)-18-benzyl-24,31-di(butan-2-yl)-3-(hydroxymethyl)-6,15-bis(2-methylpropyl)-9-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-decone
Also Known As: Permetin A, Permycin A, NLF-II, 9-L-Serinepolypeptin A, Antibiotic NLF-II
| Molecular Formula | C54H92N12O12 |
|---|---|
| Molecular Weight | 1100.70 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 386.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 1100.6958 |
| Heavy Atoms | 78 |
| Complexity | 1970.0 |
| Melting Point | 210 - 220 °C |
Chemical Identifiers
| CAS Number | 71888-70-5 |
|---|---|
| SMILES | CCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CO)CC(C)C)C(C)C)CCN)CC(C)C)CC2=CC=CC=C2)CCN)C(C)CC)CCN |
| InChIKey | NPQJTPHMCZYCNP-UHFFFAOYSA-N |
Product Overview
Permetin A (CAS 71888-70-5), with molecular formula C54H92N12O12 and molecular weight 1100.70 g/mol. IUPAC: 12,21,27-tris(2-aminoethyl)-18-benzyl-24,31-di(butan-2-yl)-3-(hydroxymethyl)-6,15-bis(2-methylpropyl)-9-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-decone.
Chemical Property Profile of Permetin A
Property Insights of Permetin A
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Permetin A. The TPSA of 386.0 Ų indicates high polarity, suggesting Permetin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Permetin A has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Permetin A?
The CAS number of Permetin A is 71888-70-5.
What is the molecular formula of Permetin A?
The molecular formula of Permetin A is C54H92N12O12.
What is the molecular weight of Permetin A?
The molecular weight of Permetin A is 1100.70 g/mol.
Where can I buy Permetin A?
You can request a quote for Permetin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Permetin A?
Yes, KEHONG BIO provides custom synthesis services for Permetin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.