![4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid structure](/static/products/898/898917-89-0.png)
4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid
TL;DR: 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid (CAS 898917-89-0) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoic acid
Also Known As: 4-(3-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)propanamido)benzoic acid, 4-{[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid, 4-[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)PROPANAMIDO]BENZOIC ACID, 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoic acid, 4-[3-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)propanoylamino]benzoic Acid
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.9435 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 741.3293 |
Chemical Identifiers
| CAS Number | 898917-89-0 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid (CAS 898917-89-0), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoic acid.
Chemical Property Profile of 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid
Property Insights of 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid
The XLogP value of 2.9435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic 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-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid?
The CAS number of 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid is 898917-89-0.
What is the molecular formula of 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid?
The molecular formula of 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid is C18H17NO5.
What is the molecular weight of 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid?
The molecular weight of 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid is 327.11 g/mol.
Where can I buy 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid?
You can request a quote for 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(2,3-Dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.