2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid
TL;DR: 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid (CAS 413608-41-0) is a chemical compound with molecular formula C27H25N3O7 and molecular weight 503.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[(2-carboxyphenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoic acid
Also Known As: KSC-336-009-1, 2,2'-((5-pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid, 2-[[3-[(2-carboxyphenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoic Acid, 2,2'-[{5-[(2,2-dimethylpropanoyl)amino]benzene-1,3-diyl}bis(carbonylimino)]dibenzoic acid
| Molecular Formula | C27H25N3O7 |
|---|---|
| Molecular Weight | 503.17 g/mol |
| LogP | 4.5722 |
| Topological Polar Surface Area | 161.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.16925 |
| Heavy Atoms | 37 |
| Complexity | 1317.3539 |
Chemical Identifiers
| CAS Number | 413608-41-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O |
Product Overview
2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid (CAS 413608-41-0), with molecular formula C27H25N3O7 and molecular weight 503.17 g/mol. IUPAC: 2-[[3-[(2-carboxyphenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoic acid.
Chemical Property Profile of 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid
Property Insights of 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid
The XLogP value of 4.5722 indicates that 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.9 Ų indicates high polarity, suggesting 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid?
The CAS number of 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid is 413608-41-0.
What is the molecular formula of 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid?
The molecular formula of 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid is C27H25N3O7.
What is the molecular weight of 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid?
The molecular weight of 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid is 503.17 g/mol.
Where can I buy 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid?
You can request a quote for 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((5-Pivalamidoisophthaloyl)bis(azanediyl))dibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.