Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine
TL;DR: Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine (CAS 177313-65-4) is a chemical compound with molecular formula C28H41N7O6 and molecular weight 571.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S,3aS,7aS)-1-[2-[(2S)-2-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: Ser-tic-oic-arg, (7-10)-Icatibant, KST-1A2069, Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine, (2s)-2-({[(2s,3as,7as)-1-({2-[(2s)-2-amino-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)octahydro-1h-indol-2-yl]carbonyl}amino)-5-[(diaminomethylidene)amino]pentanoic acid(non-preferred name)
| Molecular Formula | C28H41N7O6 |
|---|---|
| Molecular Weight | 571.31 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 571.3118 |
| Heavy Atoms | 41 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 177313-65-4 |
|---|---|
| SMILES | C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChIKey | CCGQLUQVGKKGGE-LNYFDYJHSA-N |
Product Overview
Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine (CAS 177313-65-4), with molecular formula C28H41N7O6 and molecular weight 571.31 g/mol. IUPAC: (2S)-2-[[(2S,3aS,7aS)-1-[2-[(2S)-2-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 Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine
Property Insights of Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine
The XLogP value of -3.0 indicates that Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine?
The CAS number of Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine is 177313-65-4.
What is the molecular formula of Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine?
The molecular formula of Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine is C28H41N7O6.
What is the molecular weight of Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine?
The molecular weight of Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine is 571.31 g/mol.
Where can I buy Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine?
You can request a quote for Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine?
Yes, KEHONG BIO provides custom synthesis services for Seryl-tetrahydroisoquinolinecarbonyl-octahydroindole-2-carbonyl-arginine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.