艾替班特
TL;DR: 艾替班特 (CAS 130308-48-4) is a chemical compound with molecular formula C59H89N19O13S and molecular weight 1303.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
艾替班特
(2S)-2-[[(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Icatibant, Firazyr, icatibanto, Icatibant acetate, icatibantum
| Molecular Formula | C59H89N19O13S |
|---|---|
| Molecular Weight | 1303.66 g/mol |
| LogP | -5.023 |
| Topological Polar Surface Area | 523.72 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 30 |
| Exact Mass | 1303.6608 |
| Heavy Atoms | 92 |
| Complexity | 3049.499 |
Chemical Identifiers
| CAS Number | 130308-48-4 |
|---|---|
| SMILES | C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
Product Overview
艾替班特 (CAS 130308-48-4), with molecular formula C59H89N19O13S and molecular weight 1303.66 g/mol. IUPAC: (2S)-2-[[(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid.
Chemical Property Profile of 艾替班特
Property Insights of 艾替班特
The XLogP value of -5.023 indicates that 艾替班特 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 523.72 Ų indicates high polarity, suggesting 艾替班特 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 艾替班特 has 15 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 艾替班特?
The CAS number of 艾替班特 is 130308-48-4.
What is the molecular formula of 艾替班特?
The molecular formula of 艾替班特 is C59H89N19O13S.
What is the molecular weight of 艾替班特?
The molecular weight of 艾替班特 is 1303.66 g/mol.
Where can I buy 艾替班特?
You can request a quote for 艾替班特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 艾替班特?
Yes, KEHONG BIO provides custom synthesis services for 艾替班特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.