(S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide
TL;DR: (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide (CAS 33265-79-1) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: KST-1A3878, (2s)-2,3-dihydro-1,4-benzodioxine-2-carboxamide, J3.588.267G, (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide, 2,3-Dihydro-1,4-benzodioxin-2alpha-carboxamide
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 33265-79-1 |
|---|---|
| SMILES | C1[C@H](OC2=CC=CC=C2O1)C(=O)N |
| InChIKey | LIQWNOWUUZXEPC-QMMMGPOBSA-N |
Product Overview
(S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide (CAS 33265-79-1), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide
Property Insights of (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide. Following Lipinski's Rule of Five, (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide 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 (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide?
The CAS number of (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide is 33265-79-1.
What is the molecular formula of (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide?
The molecular formula of (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide is C9H9NO3.
What is the molecular weight of (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide?
The molecular weight of (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide is 179.06 g/mol.
Where can I buy (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide?
You can request a quote for (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.