依非巴特
TL;DR: 依非巴特 (CAS 157630-07-4) is a chemical compound with molecular formula C35H49N11O9S2 and molecular weight 831.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依非巴特
2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
Also Known As: Eptifibatide, Integrilin, Integrelin, Intrifiban, epifibatide
| Molecular Formula | C35H49N11O9S2 |
|---|---|
| Molecular Weight | 831.32 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 377.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 831.3156 |
| Heavy Atoms | 57 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 157630-07-4 |
|---|---|
| SMILES | C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N |
| InChIKey | CZKPOZZJODAYPZ-LROMGURASA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依非巴特 (CAS 157630-07-4), with molecular formula C35H49N11O9S2 and molecular weight 831.32 g/mol. IUPAC: 2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid.
Chemical Property Profile of 依非巴特
Property Insights of 依非巴特
The XLogP value of -2.4 indicates that 依非巴特 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 377.0 Ų indicates high polarity, suggesting 依非巴特 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 依非巴特 has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 依非巴特?
The CAS number of 依非巴特 is 157630-07-4.
What is the molecular formula of 依非巴特?
The molecular formula of 依非巴特 is C35H49N11O9S2.
What is the molecular weight of 依非巴特?
The molecular weight of 依非巴特 is 831.32 g/mol.
Where can I buy 依非巴特?
You can request a quote for 依非巴特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依非巴特?
Yes, KEHONG BIO provides custom synthesis services for 依非巴特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.