![Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- structure](/static/products/651/651309-19-2.png)
Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-
TL;DR: Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- (CAS 651309-19-2) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-aminoethyl(isoquinolin-5-ylsulfonyl)amino]propyl]benzoic acid
Also Known As: Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-, 3-(3-(N-(2-Aminoethyl)isoquinoline-5-sulfonamido)propyl)benzoic acid, 3-[3-(2-aminoethyl-isoquinolin-5-ylsulfonyl-amino)propyl]benzoic Acid, 3-[3-[2-aminoethyl(isoquinolin-5-ylsulfonyl)amino]propyl]benzoic acid, 3-{3-[N-(2-Aminoethyl)isoquinoline-5-sulfonamido]propyl}benzoic acid
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 2.5152 |
| Topological Polar Surface Area | 113.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1110.3691 |
Chemical Identifiers
| CAS Number | 651309-19-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CCCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3 |
Product Overview
Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- (CAS 651309-19-2), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: 3-[3-[2-aminoethyl(isoquinolin-5-ylsulfonyl)amino]propyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-
Property Insights of Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-
The XLogP value of 2.5152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-. The TPSA of 113.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-. Following Lipinski's Rule of Five, Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-?
The CAS number of Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- is 651309-19-2.
What is the molecular formula of Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-?
The molecular formula of Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- is C21H23N3O4S.
What is the molecular weight of Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-?
The molecular weight of Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- is 413.14 g/mol.
Where can I buy Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-?
You can request a quote for Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-[3-[(2-aminoethyl)(5-isoquinolinylsulfonyl)amino]propyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.