3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
TL;DR: 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid (CAS 914636-42-3) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
Also Known As: 3-amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid, 3-amino-4-(1-aza-2-benzo[3,4-d]1,3-dioxolen-5-ylvinyl)benzoic acid, 3-amino-4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}benzoic acid, 3-amino-4-(1,3-benzodioxol-5-ylmethyleneamino)benzoic acid, 3-amino-4-(benzo[1,3]dioxol-5-ylmethylideneamino)benzoic Acid
| Molecular Formula | C15H12N2O4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.4463 |
| Topological Polar Surface Area | 94.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0797 |
| Heavy Atoms | 21 |
| Complexity | 740.4486 |
Chemical Identifiers
| CAS Number | 914636-42-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=C(C=C(C=C3)C(=O)O)N |
Product Overview
3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid (CAS 914636-42-3), with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol. IUPAC: 3-amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid.
Chemical Property Profile of 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
Property Insights of 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
The XLogP value of 2.4463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid. The TPSA of 94.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid. Following Lipinski's Rule of Five, 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic 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-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid?
The CAS number of 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid is 914636-42-3.
What is the molecular formula of 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid?
The molecular formula of 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid is C15H12N2O4.
What is the molecular weight of 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid?
The molecular weight of 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid is 284.08 g/mol.
Where can I buy 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid?
You can request a quote for 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.