Nemifitide
TL;DR: Nemifitide (CAS 173240-15-8) is a chemical compound with molecular formula C33H43FN10O6 and molecular weight 694.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
Also Known As: Nemifitide, (2S,4R)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
| Molecular Formula | C33H43FN10O6 |
|---|---|
| Molecular Weight | 694.34 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 272.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 694.3351 |
| Heavy Atoms | 50 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 173240-15-8 |
|---|---|
| SMILES | C1[C@H](CN[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC(=O)[C@H](CC4=CC=C(C=C4)F)N)O |
| InChIKey | PYBUXPIJUALBLW-RCNLLYRESA-N |
Product Overview
Nemifitide (CAS 173240-15-8), with molecular formula C33H43FN10O6 and molecular weight 694.34 g/mol. IUPAC: (2S,4R)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide.
Chemical Property Profile of Nemifitide
Property Insights of Nemifitide
The XLogP value of -1.1 indicates that Nemifitide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.0 Ų indicates high polarity, suggesting Nemifitide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nemifitide has 10 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nemifitide?
The CAS number of Nemifitide is 173240-15-8.
What is the molecular formula of Nemifitide?
The molecular formula of Nemifitide is C33H43FN10O6.
What is the molecular weight of Nemifitide?
The molecular weight of Nemifitide is 694.34 g/mol.
Where can I buy Nemifitide?
You can request a quote for Nemifitide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nemifitide?
Yes, KEHONG BIO provides custom synthesis services for Nemifitide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.