![N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide structure](/static/products/339/339231-87-7.png)
N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide
TL;DR: N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide (CAS 339231-87-7) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
Also Known As: N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide, BAS 07004075, N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)nicotinamide
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 339231-87-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CN=CC=C3 |
| InChIKey | AOWHRHSQRMKFBW-UHFFFAOYSA-N |
Product Overview
N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide (CAS 339231-87-7), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide.
Chemical Property Profile of N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide
Property Insights of N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide. Following Lipinski's Rule of Five, N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide has 1 hydrogen bond donor(s) and 4 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-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide?
The CAS number of N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide is 339231-87-7.
What is the molecular formula of N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide?
The molecular formula of N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide is C14H12N2O3.
What is the molecular weight of N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide?
The molecular weight of N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide is 256.08 g/mol.
Where can I buy N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide?
You can request a quote for N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.