Isocyclosporin D
TL;DR: Isocyclosporin D (CAS 637751-83-8) is a chemical compound with molecular formula C23H22F3NO4 and molecular weight 433.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Also Known As: Isocyclosporin D, 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one, F3385-0059, 7-hydroxy-3-(4-methoxyphenyl)-8-[(piperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one, 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
| Molecular Formula | C23H22F3NO4 |
|---|---|
| Molecular Weight | 433.15 g/mol |
| LogP | 5.1789 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.1501 |
| Heavy Atoms | 31 |
| Complexity | 1146.6709 |
Chemical Identifiers
| CAS Number | 637751-83-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCC4)O)C(F)(F)F |
Product Overview
Isocyclosporin D (CAS 637751-83-8), with molecular formula C23H22F3NO4 and molecular weight 433.15 g/mol. IUPAC: 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of Isocyclosporin D
Property Insights of Isocyclosporin D
The XLogP value of 5.1789 indicates that Isocyclosporin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocyclosporin D. Following Lipinski's Rule of Five, Isocyclosporin D has 1 hydrogen bond donor(s) and 5 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 637751-83-8.
What is the molecular formula of Isocyclosporin D?
The molecular formula of Isocyclosporin D is C23H22F3NO4.
What is the molecular weight of Isocyclosporin D?
The molecular weight of Isocyclosporin D is 433.15 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.