(1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-
TL;DR: (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- (CAS 885684-79-7) is a chemical compound with molecular formula C27H29N5O3 and molecular weight 471.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]-4-ethenylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid
Also Known As: (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-, 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid, 2'-((5-Carbamimidoylpyridin-2-Ylamino)methyl)-4-(Isobutylcarbamoyl)-4'-Vinylbiphenyl-2-Carboxylic Acid, 2'-{[(5-carbamimidoylpyridin-2-yl)amino]methyl}-4'-ethenyl-4-[(2-methylpropyl)carbamoyl]biphenyl-2-carboxylic acid, RefChem:116787
| Molecular Formula | C27H29N5O3 |
|---|---|
| Molecular Weight | 471.23 g/mol |
| LogP | 4.37177 |
| Topological Polar Surface Area | 141.19 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 471.22705 |
| Heavy Atoms | 35 |
| Complexity | 1266.3083 |
Chemical Identifiers
| CAS Number | 885684-79-7 |
|---|---|
| SMILES | CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C=C)CNC3=NC=C(C=C3)C(=N)N)C(=O)O |
Product Overview
(1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- (CAS 885684-79-7), with molecular formula C27H29N5O3 and molecular weight 471.23 g/mol. IUPAC: 2-[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]-4-ethenylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid.
Chemical Property Profile of (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-
Property Insights of (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-
The XLogP value of 4.37177 indicates that (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.19 Ų indicates high polarity, suggesting (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- has 5 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 (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-?
The CAS number of (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- is 885684-79-7.
What is the molecular formula of (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-?
The molecular formula of (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- is C27H29N5O3.
What is the molecular weight of (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-?
The molecular weight of (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- is 471.23 g/mol.
Where can I buy (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-?
You can request a quote for (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-2-carboxylic acid, 2'-(((5-(aminoiminomethyl)-2-pyridinyl)amino)methyl)-4'-ethenyl-4-(((2-methylpropyl)amino)carbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.