2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid
TL;DR: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid (CAS 1009005-33-7) is a chemical compound with molecular formula C14H19NO6S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanoic acid
Also Known As: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid, 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]-3-methylbutanoic acid, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanoic acid, 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoicacid, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanoic acid
| Molecular Formula | C14H19NO6S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 1.2354 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.09332 |
| Heavy Atoms | 22 |
| Complexity | 655.29694 |
Chemical Identifiers
| CAS Number | 1009005-33-7 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2 |
Product Overview
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid (CAS 1009005-33-7), with molecular formula C14H19NO6S and molecular weight 329.09 g/mol. IUPAC: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanoic acid.
Chemical Property Profile of 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid
Property Insights of 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid
The XLogP value of 1.2354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic 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 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid?
The CAS number of 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid is 1009005-33-7.
What is the molecular formula of 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid?
The molecular formula of 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid is C14H19NO6S.
What is the molecular weight of 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid?
The molecular weight of 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid is 329.09 g/mol.
Where can I buy 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid?
You can request a quote for 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.