3,5-二氟-4-(甲氨基)苯甲酸
TL;DR: 3,5-二氟-4-(甲氨基)苯甲酸 (CAS 500575-82-6) is a chemical compound with molecular formula C8H7F2NO2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二氟-4-(甲氨基)苯甲酸
3,5-difluoro-4-(methylamino)benzoic acid
Also Known As: 3,5-difluoro-4-(methylamino)benzoic acid, Benzoicacid,3,5-difluoro-4- -, 3,5-difluoro-4-(methylamino)-Benzoic acid, 3,5-difluoro-4-(methylamino)benzoicacid, Benzoic acid, 3,5-difluoro-4-(methylamino)- (9CI)
| Molecular Formula | C8H7F2NO2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.04448 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 500575-82-6 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1F)C(=O)O)F |
| InChIKey | UFWKFKMPQDSAER-UHFFFAOYSA-N |
Product Overview
3,5-二氟-4-(甲氨基)苯甲酸 (CAS 500575-82-6), with molecular formula C8H7F2NO2 and molecular weight 187.04 g/mol. IUPAC: 3,5-difluoro-4-(methylamino)benzoic acid.
Chemical Property Profile of 3,5-二氟-4-(甲氨基)苯甲酸
Property Insights of 3,5-二氟-4-(甲氨基)苯甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二氟-4-(甲氨基)苯甲酸. With a topological polar surface area (TPSA) of 49.3 Ų, 3,5-二氟-4-(甲氨基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二氟-4-(甲氨基)苯甲酸 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 3,5-二氟-4-(甲氨基)苯甲酸?
The CAS number of 3,5-二氟-4-(甲氨基)苯甲酸 is 500575-82-6.
What is the molecular formula of 3,5-二氟-4-(甲氨基)苯甲酸?
The molecular formula of 3,5-二氟-4-(甲氨基)苯甲酸 is C8H7F2NO2.
What is the molecular weight of 3,5-二氟-4-(甲氨基)苯甲酸?
The molecular weight of 3,5-二氟-4-(甲氨基)苯甲酸 is 187.04 g/mol.
Where can I buy 3,5-二氟-4-(甲氨基)苯甲酸?
You can request a quote for 3,5-二氟-4-(甲氨基)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 3,5-二氟-4-(甲氨基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二氟-4-(甲氨基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.