N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid
TL;DR: N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid (CAS 3689-97-2) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]propanamide
Also Known As: Propanamide, N-(2-(1,3-benzodioxol-5-yl)-1-methylethyl)-, 5-19-08-00418 (Beilstein Handbook Reference), N-(alpha-Methyl-3,4-(methylenedioxy)phenethyl)propionamide, N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]propanamide, Propionamide, N-(alpha-methyl-3,4-(methylenedioxy)phenethyl)-
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 3689-97-2 |
|---|---|
| SMILES | CCC(=O)NC(C)CC1=CC2=C(C=C1)OCO2 |
| InChIKey | IYYKBCJFAZVSPN-UHFFFAOYSA-N |
Product Overview
N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid (CAS 3689-97-2), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]propanamide.
Chemical Property Profile of N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid
Property Insights of N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic 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 N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid?
The CAS number of N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid is 3689-97-2.
What is the molecular formula of N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid?
The molecular formula of N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid is C13H17NO3.
What is the molecular weight of N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid?
The molecular weight of N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid is 235.12 g/mol.
Where can I buy N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid?
You can request a quote for N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.