Cyclolinopeptide H
TL;DR: Cyclolinopeptide H (CAS 351417-17-9) is a chemical compound with molecular formula C56H75N9O9S2 and molecular weight 1081.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,12S,15S,18S,21S,24S)-18,21-dibenzyl-12-butan-2-yl-15-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-(2-methylsulfanylethyl)-9-(2-methylsulfinylethyl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
Also Known As: Cyclolinopeptide H, (3S,6S,9S,12S,15S,18S,21S,24S)-18,21-dibenzyl-12-butan-2-yl-15-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-(2-methylsulfanylethyl)-9-(2-methylsulfinylethyl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone, (3S,6S,9S,12S,15S,18S,21S,26aS)-3,6-dibenzyl-12-(butan-2-yl)-9-(1H-indol-3-ylmethyl)-15-(2-methanesulfinylethyl)-18-(2-methylpropyl)-21-[2-(methylsulfanyl)ethyl]-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone, (3S,6S,9S,12S,15S,18S,21S,24S)-18,21-dibenzyl-12-((2S)-butan-2-yl)-15-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-(2-methylsulfanylethyl)-9-(2-methylsulfinylethyl)-1,4,7,10,13,16,19,22-octazabicyclo(22.3.0)heptacosane-2,5,8,11,14,17,20,23-octone, (3S,6S,9S,12S,15S,18S,21S,24S)-18,21-dibenzyl-12-[(2S)-butan-2-yl]-15-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-(2-methylsulfanylethyl)-9-(2-methylsulfinylethyl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
| Molecular Formula | C56H75N9O9S2 |
|---|---|
| Molecular Weight | 1081.51 g/mol |
| LogP | 3.2079 |
| Topological Polar Surface Area | 256.87 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 1081.513 |
| Heavy Atoms | 76 |
| Complexity | 2670.6768 |
Chemical Identifiers
| CAS Number | 351417-17-9 |
|---|---|
| SMILES | CCC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=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)N1)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCSC)CC(C)C)CCS(=O)C |
Product Overview
Cyclolinopeptide H (CAS 351417-17-9), with molecular formula C56H75N9O9S2 and molecular weight 1081.51 g/mol. IUPAC: (3S,6S,9S,12S,15S,18S,21S,24S)-18,21-dibenzyl-12-butan-2-yl-15-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-(2-methylsulfanylethyl)-9-(2-methylsulfinylethyl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone.
Chemical Property Profile of Cyclolinopeptide H
Property Insights of Cyclolinopeptide H
The XLogP value of 3.2079 indicates that Cyclolinopeptide H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.87 Ų indicates high polarity, suggesting Cyclolinopeptide H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclolinopeptide H has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclolinopeptide H?
The CAS number of Cyclolinopeptide H is 351417-17-9.
What is the molecular formula of Cyclolinopeptide H?
The molecular formula of Cyclolinopeptide H is C56H75N9O9S2.
What is the molecular weight of Cyclolinopeptide H?
The molecular weight of Cyclolinopeptide H is 1081.51 g/mol.
Where can I buy Cyclolinopeptide H?
You can request a quote for Cyclolinopeptide H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclolinopeptide H?
Yes, KEHONG BIO provides custom synthesis services for Cyclolinopeptide H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.