Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)
TL;DR: Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1) (CAS 19996-95-3) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenyl-1-(1-prop-2-enylpyrrolidin-1-ium-3-yl)urea;2-hydroxy-2-oxoacetate
Also Known As: N-(1-Allyl-3-pyrrolidinyl)carbanilide oxalate, CARBANILIDE, N-(1-ALLYL-3-PYRROLIDINYL)-, OXALATE (1:1), 1,3-diphenyl-1-(1-prop-2-enylpyrrolidin-1-ium-3-yl)urea; 2-hydroxy-2-oxoacetate, RefChem:333203
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 0.39 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 19996-95-3 |
|---|---|
| SMILES | C=CC[NH+]1CCC(C1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3.C(=O)(C(=O)[O-])O |
| InChIKey | DQAWNXIZKFOTEX-UHFFFAOYSA-N |
Product Overview
Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1) (CAS 19996-95-3), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: 1,3-diphenyl-1-(1-prop-2-enylpyrrolidin-1-ium-3-yl)urea;2-hydroxy-2-oxoacetate.
Chemical Property Profile of Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)
Property Insights of Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)
The XLogP value of 0.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1). The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1). Following Lipinski's Rule of Five, Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1) has 3 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 Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)?
The CAS number of Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1) is 19996-95-3.
What is the molecular formula of Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)?
The molecular formula of Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1) is C22H25N3O5.
What is the molecular weight of Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)?
The molecular weight of Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1) is 411.18 g/mol.
Where can I buy Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)?
You can request a quote for Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbanilide, N-(1-allyl-3-pyrrolidinyl)-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.