methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate
TL;DR: methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate (CAS 694443-29-3) is a chemical compound with molecular formula C12H15NO6S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetate
Also Known As: CBKinase1_003061, CBKinase1_015461, methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate, methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetate, BRD-K13474017-001-01-6
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 0.3968 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 612.3736 |
Chemical Identifiers
| CAS Number | 694443-29-3 |
|---|---|
| SMILES | COC(=O)CN(C1=CC2=C(C=C1)OCCO2)S(=O)(=O)C |
Product Overview
methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate (CAS 694443-29-3), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetate.
Chemical Property Profile of methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate
Property Insights of methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate
The XLogP value of 0.3968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate. Following Lipinski's Rule of Five, methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate has 0 hydrogen bond donor(s) and 6 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 methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate?
The CAS number of methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate is 694443-29-3.
What is the molecular formula of methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate?
The molecular formula of methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate is C12H15NO6S.
What is the molecular weight of methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate?
The molecular weight of methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate is 301.06 g/mol.
Where can I buy methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate?
You can request a quote for methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.