N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
TL;DR: N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide (CAS 5892-25-1) is a chemical compound with molecular formula C23H37N3O2 and molecular weight 387.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
Also Known As: Hippuric acid, calcium salt (2:1), trihydrate, N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide, Glycine, N-benzoyl-, calcium salt (2:1), trihydrate, N-(Butan-2-yl)-5-(2-ethylhexanamido)-2-(pyrrolidin-1-yl)benzamide
| Molecular Formula | C23H37N3O2 |
|---|---|
| Molecular Weight | 387.29 g/mol |
| LogP | 4.97 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 387.28857 |
| Heavy Atoms | 28 |
| Complexity | 653.24756 |
Chemical Identifiers
| CAS Number | 5892-25-1 |
|---|---|
| SMILES | CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NC(C)CC |
Product Overview
N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide (CAS 5892-25-1), with molecular formula C23H37N3O2 and molecular weight 387.29 g/mol. IUPAC: N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
Property Insights of N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
The XLogP value of 4.97 indicates that N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide. Following Lipinski's Rule of Five, N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide has 2 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 N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide?
The CAS number of N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide is 5892-25-1.
What is the molecular formula of N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide?
The molecular formula of N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide is C23H37N3O2.
What is the molecular weight of N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide?
The molecular weight of N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide is 387.29 g/mol.
Where can I buy N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide?
You can request a quote for N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.