Npc 17731
TL;DR: Npc 17731 (CAS 147267-10-5) is a chemical compound with molecular formula C59H95N19O14 and molecular weight 1293.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S)-2-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R,4S)-4-propoxypyrrolidine-2-carbonyl]amino]-2-[1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-5-hydroxy-4-[[(2S)-2-[[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid
Also Known As: Npc 17731, Bradykinin antagonists, Scios, GTPL657, Arg-arg-pro-hyp-gly-phe-ser-hype (transpropyl)-oic-arg, (2S,4S)-2-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R,4S)-4-propoxypyrrolidine-2-carbonyl]amino]-2-[1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-5-hydroxy-4-[[(2S)-2-[[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid
| Molecular Formula | C59H95N19O14 |
|---|---|
| Molecular Weight | 1293.73 g/mol |
| LogP | -6.3854 |
| Topological Polar Surface Area | 550.53 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 35 |
| Exact Mass | 1293.7306 |
| Heavy Atoms | 92 |
| Complexity | 2824.5073 |
Chemical Identifiers
| CAS Number | 147267-10-5 |
|---|---|
| SMILES | CCCO[C@H]1C[C@@H](NC1)C(=O)N(C(=O)C2C[C@@H]3CCCC[C@@H]3N2)[C@@](C(CCN=C(N)N)C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)(C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)CNC(=O)[C@@H]6CC(CN6)O)C(=O)O |
Product Overview
Npc 17731 (CAS 147267-10-5), with molecular formula C59H95N19O14 and molecular weight 1293.73 g/mol. IUPAC: (2S,4S)-2-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R,4S)-4-propoxypyrrolidine-2-carbonyl]amino]-2-[1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-5-hydroxy-4-[[(2S)-2-[[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid.
Chemical Property Profile of Npc 17731
Property Insights of Npc 17731
The XLogP value of -6.3854 indicates that Npc 17731 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 550.53 Ų indicates high polarity, suggesting Npc 17731 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Npc 17731 has 17 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Npc 17731?
The CAS number of Npc 17731 is 147267-10-5.
What is the molecular formula of Npc 17731?
The molecular formula of Npc 17731 is C59H95N19O14.
What is the molecular weight of Npc 17731?
The molecular weight of Npc 17731 is 1293.73 g/mol.
Where can I buy Npc 17731?
You can request a quote for Npc 17731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Npc 17731?
Yes, KEHONG BIO provides custom synthesis services for Npc 17731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.