3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid
TL;DR: 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid (CAS 775314-99-3) 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.
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
Also Known As: 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid, 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]propanoic acid, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid, 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoicacid, 3-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-10-ylsulfonylamino)propanoic Acid
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 0.6009 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 597.96515 |
Chemical Identifiers
| CAS Number | 775314-99-3 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)OC1 |
Product Overview
3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid (CAS 775314-99-3), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid.
Chemical Property Profile of 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid
Property Insights of 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid
The XLogP value of 0.6009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(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 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid. Following Lipinski's Rule of Five, 3-(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 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
The CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid is 775314-99-3.
What is the molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
The molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid is C12H15NO6S.
What is the molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
The molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid is 301.06 g/mol.
Where can I buy 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
You can request a quote for 3-(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 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(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.