(2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid
TL;DR: (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid (CAS 1164101-90-9) 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.
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
Also Known As: (2S)-2-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-SULFONAMIDO)PROPANOIC ACID, (2S)-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]propanoic acid, ((3,4-Dihydro-2h-benzo[b][1,4]dioxepin-7-yl)sulfonyl)-l-alanine, (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid, (2S)-2-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-SULFONAMIDO)PROPANOICACID
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 0.5993 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 612.3736 |
Chemical Identifiers
| CAS Number | 1164101-90-9 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2 |
Product Overview
(2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid (CAS 1164101-90-9), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid.
Chemical Property Profile of (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid
Property Insights of (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid
The XLogP value of 0.5993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid has 2 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)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
The CAS number of (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid is 1164101-90-9.
What is the molecular formula of (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
The molecular formula of (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid is C12H15NO6S.
What is the molecular weight of (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
The molecular weight of (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid is 301.06 g/mol.
Where can I buy (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
You can request a quote for (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.