(2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid (CAS 1214629-91-0) is a chemical compound with molecular formula C13H15NO6S and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid
Also Known As: (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid, (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid, (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylicacid, 1-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-ylsulfonyl)pyrrolidine-2-carboxylic Acid
| Molecular Formula | C13H15NO6S |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 0.6955 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.062 |
| Heavy Atoms | 21 |
| Complexity | 671.2391 |
Chemical Identifiers
| CAS Number | 1214629-91-0 |
|---|---|
| SMILES | C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)O |
Product Overview
(2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid (CAS 1214629-91-0), with molecular formula C13H15NO6S and molecular weight 313.06 g/mol. IUPAC: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid
The XLogP value of 0.6955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid is 1214629-91-0.
What is the molecular formula of (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid is C13H15NO6S.
What is the molecular weight of (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid is 313.06 g/mol.
Where can I buy (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.