Cistinexine
TL;DR: Cistinexine (CAS 86042-50-4) is a chemical compound with molecular formula C50H60Br4N6O6S2 and molecular weight 1220.075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate
Also Known As: Cistinexine, Cistinexina, Cistinexinum, Cistinexine [INN], Cistinexinum [Latin]
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C50H60Br4N6O6S2 |
| Molecular Weight | 1220.075 g/mol |
| XLogP | 11.3 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 1224.0708 Da |
| Heavy Atoms | 68 |
| Complexity | 1430.0 |
| SMILES | CN(CC1=C(C(=CC(=C1)Br)Br)NC(=O)[C@H](CSSC[C@@H](C(=O)NC2=C(C=C(C=C2Br)Br)CN(C)C3CCCCC3)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C6CCCCC6 |
| InChIKey | UVOSLKVETODLTR-CXNSMIOJSA-N |
Chemical Property Profile of Cistinexine
Property Insights of Cistinexine
The XLogP value of 11.3 indicates that Cistinexine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting Cistinexine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cistinexine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cistinexine?
The CAS number of Cistinexine is 86042-50-4.
What is the molecular formula of Cistinexine?
The molecular formula of Cistinexine is C50H60Br4N6O6S2.
What is the molecular weight of Cistinexine?
The molecular weight of Cistinexine is 1220.075 g/mol.
Where can I buy Cistinexine?
You can request a quote for Cistinexine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cistinexine?
Yes, CoreyChem provides custom synthesis services for Cistinexine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.