4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid
TL;DR: 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid (CAS 331461-05-3) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid
Also Known As: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid, 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]propanoic acid, AA-768/32249046, 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]propanoicacid, 3-(N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)carbamoyl)propanoic acid
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.2611 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 471.5356 |
Chemical Identifiers
| CAS Number | 331461-05-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CCC(=O)O |
Product Overview
4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid (CAS 331461-05-3), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid
Property Insights of 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid
The XLogP value of 1.2611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 4 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 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid?
The CAS number of 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid is 331461-05-3.
What is the molecular formula of 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid?
The molecular formula of 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid is C12H13NO5.
What is the molecular weight of 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid?
The molecular weight of 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid is 251.08 g/mol.
Where can I buy 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid?
You can request a quote for 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.