Npc 17761
TL;DR: Npc 17761 (CAS 147333-13-9) is a chemical compound with molecular formula C62H93N19O13S and molecular weight 1343.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[1-[2-[[2-[[2-[[1-[1-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]-4-phenylsulfanylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Npc 17761, D-Arg(0)(hyp(3)-D-hype(trans-thiophenyl)(7),oic(8))bradykinin, Bradykinin, N2-D-arginyl-3-(trans-4-hydroxy-L-proline)-7-(trans-4-(phenylthio)-D-proline)-8-(L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carboxylic acid)-, RefChem:166900
| Molecular Formula | C62H93N19O13S |
|---|---|
| Molecular Weight | 1343.69 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 549.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Exact Mass | 1343.6921 |
| Heavy Atoms | 95 |
| Complexity | 2760.0 |
Chemical Identifiers
| CAS Number | 147333-13-9 |
|---|---|
| SMILES | C1CCC2C(C1)CC(N2C(=O)C3CC(CN3C(=O)C(CO)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)C5CC(CN5C(=O)C6CCCN6C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O)SC7=CC=CC=C7)C(=O)NC(CCCN=C(N)N)C(=O)O |
| InChIKey | TTZWORQGJCRWCJ-UHFFFAOYSA-N |
Product Overview
Npc 17761 (CAS 147333-13-9), with molecular formula C62H93N19O13S and molecular weight 1343.69 g/mol. IUPAC: 2-[[1-[1-[2-[[2-[[2-[[1-[1-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]-4-phenylsulfanylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid.
Chemical Property Profile of Npc 17761
Property Insights of Npc 17761
The XLogP value of -5.2 indicates that Npc 17761 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 549.0 Ų indicates high polarity, suggesting Npc 17761 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Npc 17761 has 15 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Npc 17761?
The CAS number of Npc 17761 is 147333-13-9.
What is the molecular formula of Npc 17761?
The molecular formula of Npc 17761 is C62H93N19O13S.
What is the molecular weight of Npc 17761?
The molecular weight of Npc 17761 is 1343.69 g/mol.
Where can I buy Npc 17761?
You can request a quote for Npc 17761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Npc 17761?
Yes, KEHONG BIO provides custom synthesis services for Npc 17761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.