CI 988
TL;DR: CI 988 (CAS 130332-27-3) is a chemical compound with molecular formula C35H42N4O6 and molecular weight 614.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
Also Known As: PDSP1_000899, PDSP2_000885, 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid, 4-[[(1R)-2-[[(2R)-3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic Acid, 4-(((R)-2-((R)-2-(((Adamantan-2-yloxy)carbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanamido)-1-phenylethyl)amino)-4-oxobutanoic acid
| Molecular Formula | C35H42N4O6 |
|---|---|
| Molecular Weight | 614.31 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 614.3104 |
| Heavy Atoms | 45 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 130332-27-3 |
|---|---|
| SMILES | C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC[C@@H](C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6 |
| InChIKey | FVQSSYMRZKLFDR-ZABPBAJSSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CI 988 (CAS 130332-27-3), with molecular formula C35H42N4O6 and molecular weight 614.31 g/mol. IUPAC: 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of CI 988
Property Insights of CI 988
The XLogP value of 4.3 indicates that CI 988 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting CI 988 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CI 988 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CI 988?
The CAS number of CI 988 is 130332-27-3.
What is the molecular formula of CI 988?
The molecular formula of CI 988 is C35H42N4O6.
What is the molecular weight of CI 988?
The molecular weight of CI 988 is 614.31 g/mol.
Where can I buy CI 988?
You can request a quote for CI 988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI 988?
Yes, KEHONG BIO provides custom synthesis services for CI 988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.