4-(Dibenzylamino)-4-oxobutanoic acid
TL;DR: 4-(Dibenzylamino)-4-oxobutanoic acid (CAS 352023-33-7) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dibenzylamino)-4-oxobutanoic acid
Also Known As: 3-(dibenzylcarbamoyl)propanoic acid, N,N-Dibenzyl-succinamic acid, 4-(dibenzylamino)-4-oxobutanoic acid, ChemDiv2_000561, 3-(dibenzylcarbamoyl)propanoicacid
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 352023-33-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=O)O |
| InChIKey | OHLOFGIPLRRVHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dibenzylamino)-4-oxobutanoic acid (CAS 352023-33-7), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 4-(dibenzylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(Dibenzylamino)-4-oxobutanoic acid
Property Insights of 4-(Dibenzylamino)-4-oxobutanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dibenzylamino)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 4-(Dibenzylamino)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dibenzylamino)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 3 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 4-(Dibenzylamino)-4-oxobutanoic acid?
The CAS number of 4-(Dibenzylamino)-4-oxobutanoic acid is 352023-33-7.
What is the molecular formula of 4-(Dibenzylamino)-4-oxobutanoic acid?
The molecular formula of 4-(Dibenzylamino)-4-oxobutanoic acid is C18H19NO3.
What is the molecular weight of 4-(Dibenzylamino)-4-oxobutanoic acid?
The molecular weight of 4-(Dibenzylamino)-4-oxobutanoic acid is 297.14 g/mol.
Where can I buy 4-(Dibenzylamino)-4-oxobutanoic acid?
You can request a quote for 4-(Dibenzylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dibenzylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dibenzylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.