IC 101
TL;DR: IC 101 (CAS 154272-92-1) is a chemical compound with molecular formula C39H66N8O13 and molecular weight 854.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7,21-dihydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl)-2-[6-ethyl-2-hydroxy-5-(3-methylbutyl)oxan-2-yl]-2-hydroxypropanamide
Also Known As: IC101, IC 101, N-(7,21-Dihydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl)-2-[6-ethyl-2-hydroxy-5-(3-methylbutyl)oxan-2-yl]-2-hydroxypropanamide
| Molecular Formula | C39H66N8O13 |
|---|---|
| Molecular Weight | 854.47 g/mol |
| LogP | -0.5464 |
| Topological Polar Surface Area | 279.95 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 854.4749 |
| Heavy Atoms | 60 |
| Complexity | 1598.0759 |
Chemical Identifiers
| CAS Number | 154272-92-1 |
|---|---|
| SMILES | CCC1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)C(N(C(=O)C3CCCNN3C(=O)CNC(=O)C(N(C(=O)C4CCCNN4C2=O)O)C)O)C)C(C)C)O)O)CCC(C)C |
Product Overview
IC 101 (CAS 154272-92-1), with molecular formula C39H66N8O13 and molecular weight 854.47 g/mol. IUPAC: N-(7,21-dihydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl)-2-[6-ethyl-2-hydroxy-5-(3-methylbutyl)oxan-2-yl]-2-hydroxypropanamide.
Chemical Property Profile of IC 101
Property Insights of IC 101
The XLogP value of -0.5464 indicates that IC 101 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 279.95 Ų indicates high polarity, suggesting IC 101 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, IC 101 has 8 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 IC 101?
The CAS number of IC 101 is 154272-92-1.
What is the molecular formula of IC 101?
The molecular formula of IC 101 is C39H66N8O13.
What is the molecular weight of IC 101?
The molecular weight of IC 101 is 854.47 g/mol.
Where can I buy IC 101?
You can request a quote for IC 101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IC 101?
Yes, KEHONG BIO provides custom synthesis services for IC 101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.