3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-
TL;DR: 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- (CAS 66937-37-9) is a chemical compound with molecular formula C28H33N5O7S and molecular weight 583.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(diaminomethylideneamino)-2-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-, 2-[5-(diaminomethylideneamino)-2-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 2-[N~2~-(6,7-Dimethoxynaphthalene-2-sulfonyl)arginyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, RefChem:280173
| Molecular Formula | C28H33N5O7S |
|---|---|
| Molecular Weight | 583.21 g/mol |
| LogP | 1.5956 |
| Topological Polar Surface Area | 186.64 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 583.2101 |
| Heavy Atoms | 41 |
| Complexity | 1587.9419 |
Chemical Identifiers
| CAS Number | 66937-37-9 |
|---|---|
| SMILES | COC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N3CC4=CC=CC=C4CC3C(=O)O)OC |
Product Overview
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- (CAS 66937-37-9), with molecular formula C28H33N5O7S and molecular weight 583.21 g/mol. IUPAC: 2-[5-(diaminomethylideneamino)-2-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-
Property Insights of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-
The XLogP value of 1.5956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-. The TPSA of 186.64 Ų indicates high polarity, suggesting 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-?
The CAS number of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- is 66937-37-9.
What is the molecular formula of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-?
The molecular formula of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- is C28H33N5O7S.
What is the molecular weight of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-?
The molecular weight of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- is 583.21 g/mol.
Where can I buy 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-?
You can request a quote for 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.