N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide (CAS 324779-89-7) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide
Also Known As: IFLab1_003521, N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide, SDCCGMLS-0034657.P002, IDI1_009628, UPCMLD0ENAT5682037:001
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 324779-89-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CS3 |
| InChIKey | YXIOSCHXPFQHOJ-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide (CAS 324779-89-7), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide 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-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide is 324779-89-7.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide is C13H11NO3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide is 261.05 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.