Isocyclosporin D
TL;DR: Isocyclosporin D (CAS 63775-93-9) is a chemical compound with molecular formula C63H113N11O12 and molecular weight 1215.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9,18,24-tetratert-butyl-34-[(E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-3,21,30-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Also Known As: Isocyclosporin D, 6,9,18,24-tetratert-butyl-34-[(E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-3,21,30-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
| Molecular Formula | C63H113N11O12 |
|---|---|
| Molecular Weight | 1215.86 g/mol |
| LogP | 3.8269 |
| Topological Polar Surface Area | 276.59 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 1215.857 |
| Heavy Atoms | 86 |
| Complexity | 2451.4907 |
Chemical Identifiers
| CAS Number | 63775-93-9 |
|---|---|
| SMILES | C/C=C/CC(C)C1C(C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)O1)C(C)C)C)C(C)(C)C)C)C(C)(C)C)C)C)C)C(C)(C)C)C)C(C)C)C(C)(C)C)C)C)C(C)C)NC |
Product Overview
Isocyclosporin D (CAS 63775-93-9), with molecular formula C63H113N11O12 and molecular weight 1215.86 g/mol. IUPAC: 6,9,18,24-tetratert-butyl-34-[(E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-3,21,30-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.
Chemical Property Profile of Isocyclosporin D
Property Insights of Isocyclosporin D
The XLogP value of 3.8269 indicates that Isocyclosporin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 276.59 Ų indicates high polarity, suggesting Isocyclosporin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isocyclosporin D has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isocyclosporin D?
The CAS number of Isocyclosporin D is 63775-93-9.
What is the molecular formula of Isocyclosporin D?
The molecular formula of Isocyclosporin D is C63H113N11O12.
What is the molecular weight of Isocyclosporin D?
The molecular weight of Isocyclosporin D is 1215.86 g/mol.
Where can I buy Isocyclosporin D?
You can request a quote for Isocyclosporin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyclosporin D?
Yes, KEHONG BIO provides custom synthesis services for Isocyclosporin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.