![3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid structure](/static/products/5218/521-87-9.webp)
3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid
TL;DR: 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid (CAS 521-87-9) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(methylamino)benzoyl]amino]pentanedioic acid
Also Known As: 3-{[4-(methylamino)benzoyl]amino}pentanedioic acid, 3-[[4-(methylamino)benzoyl]amino]pentanedioic acid, 3-[4-(Methylamino)benzamido]pentanedioic acid
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 521-87-9 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)C(=O)NC(CC(=O)O)CC(=O)O |
| InChIKey | OQXDSBHZNNKHNO-UHFFFAOYSA-N |
Product Overview
3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid (CAS 521-87-9), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: 3-[[4-(methylamino)benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid
Property Insights of 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid. Following Lipinski's Rule of Five, 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid has 4 hydrogen bond donor(s) and 6 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 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid?
The CAS number of 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid is 521-87-9.
What is the molecular formula of 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid?
The molecular formula of 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid is C13H16N2O5.
What is the molecular weight of 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid?
The molecular weight of 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid is 280.11 g/mol.
Where can I buy 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid?
You can request a quote for 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(Methylamino)benzoyl]amino}pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.