2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide
TL;DR: 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide (CAS 587853-71-2) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: SDCCGMLS-0039006.P002, 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide, 2H,3H-benzo[3,4-e]1,4-dioxan-6-yl-N-(2-thienylmethyl)carboxamide, N-(2-thienylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 2.4493 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 580.38196 |
Chemical Identifiers
| CAS Number | 587853-71-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CS3 |
Product Overview
2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide (CAS 587853-71-2), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide
Property Insights of 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide
The XLogP value of 2.4493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide. With a topological polar surface area (TPSA) of 47.56 Ų, 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-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 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide?
The CAS number of 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide is 587853-71-2.
What is the molecular formula of 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide?
The molecular formula of 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide is C14H13NO3S.
What is the molecular weight of 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide?
The molecular weight of 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide is 275.06 g/mol.
Where can I buy 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide?
You can request a quote for 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-N-(2-thienylmethyl)-1,4-benzodioxin-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.