4-(吡咯-2-基亚甲基氨基)苯甲酸
TL;DR: 4-(吡咯-2-基亚甲基氨基)苯甲酸 (CAS 80525-79-7) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(吡咯-2-基亚甲基氨基)苯甲酸
4-(1H-pyrrol-2-ylmethylideneamino)benzoic acid
Also Known As: 4-(pyrrol-2-ylidenemethylamino)benzoic acid, 4-(((2H-Pyrrol-2-ylidene)methyl)amino)benzoic acid, 4-[[(E)-pyrrol-2-ylidenemethyl]amino]benzoic acid
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 80525-79-7 |
|---|---|
| SMILES | C1=CNC(=C1)C=NC2=CC=C(C=C2)C(=O)O |
| InChIKey | GUNWGJIMPXOHIH-UHFFFAOYSA-N |
Product Overview
4-(吡咯-2-基亚甲基氨基)苯甲酸 (CAS 80525-79-7), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 4-(1H-pyrrol-2-ylmethylideneamino)benzoic acid.
Chemical Property Profile of 4-(吡咯-2-基亚甲基氨基)苯甲酸
Property Insights of 4-(吡咯-2-基亚甲基氨基)苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(吡咯-2-基亚甲基氨基)苯甲酸. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(吡咯-2-基亚甲基氨基)苯甲酸. Following Lipinski's Rule of Five, 4-(吡咯-2-基亚甲基氨基)苯甲酸 has 2 hydrogen bond donor(s) and 3 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-(吡咯-2-基亚甲基氨基)苯甲酸?
The CAS number of 4-(吡咯-2-基亚甲基氨基)苯甲酸 is 80525-79-7.
What is the molecular formula of 4-(吡咯-2-基亚甲基氨基)苯甲酸?
The molecular formula of 4-(吡咯-2-基亚甲基氨基)苯甲酸 is C12H10N2O2.
What is the molecular weight of 4-(吡咯-2-基亚甲基氨基)苯甲酸?
The molecular weight of 4-(吡咯-2-基亚甲基氨基)苯甲酸 is 214.07 g/mol.
Where can I buy 4-(吡咯-2-基亚甲基氨基)苯甲酸?
You can request a quote for 4-(吡咯-2-基亚甲基氨基)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-(吡咯-2-基亚甲基氨基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(吡咯-2-基亚甲基氨基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.