4-((3-碘-9-吖啶基)氨基)苯甲酸
TL;DR: 4-((3-碘-9-吖啶基)氨基)苯甲酸 (CAS 64894-93-5) is a chemical compound with molecular formula C20H13IN2O2 and molecular weight 440.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-((3-碘-9-吖啶基)氨基)苯甲酸
4-[(3-iodoacridin-9-yl)amino]benzoic acid
Also Known As: 4-((3-Iodo-9-acridinyl)amino)benzoic acid, 4-[(3-iodoacridin-9-yl)amino]benzoic acid, Benzoic acid, 4-((3-iodo-9-acridinyl)amino)-, Benzoic acid, 4-[(3-iodo-9-acridinyl)amino]-
| Molecular Formula | C20H13IN2O2 |
|---|---|
| Molecular Weight | 440.00 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.00217 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 64894-93-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)I)NC4=CC=C(C=C4)C(=O)O |
| InChIKey | IYGOFTMCPNPPRP-UHFFFAOYSA-N |
Product Overview
4-((3-碘-9-吖啶基)氨基)苯甲酸 (CAS 64894-93-5), with molecular formula C20H13IN2O2 and molecular weight 440.00 g/mol. IUPAC: 4-[(3-iodoacridin-9-yl)amino]benzoic acid.
Chemical Property Profile of 4-((3-碘-9-吖啶基)氨基)苯甲酸
Property Insights of 4-((3-碘-9-吖啶基)氨基)苯甲酸
The XLogP value of 5.2 indicates that 4-((3-碘-9-吖啶基)氨基)苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-碘-9-吖啶基)氨基)苯甲酸. Following Lipinski's Rule of Five, 4-((3-碘-9-吖啶基)氨基)苯甲酸 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((3-碘-9-吖啶基)氨基)苯甲酸?
The CAS number of 4-((3-碘-9-吖啶基)氨基)苯甲酸 is 64894-93-5.
What is the molecular formula of 4-((3-碘-9-吖啶基)氨基)苯甲酸?
The molecular formula of 4-((3-碘-9-吖啶基)氨基)苯甲酸 is C20H13IN2O2.
What is the molecular weight of 4-((3-碘-9-吖啶基)氨基)苯甲酸?
The molecular weight of 4-((3-碘-9-吖啶基)氨基)苯甲酸 is 440.00 g/mol.
Where can I buy 4-((3-碘-9-吖啶基)氨基)苯甲酸?
You can request a quote for 4-((3-碘-9-吖啶基)氨基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-碘-9-吖啶基)氨基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-碘-9-吖啶基)氨基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.