3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid
TL;DR: 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid (CAS 796848-79-8) is a chemical compound with molecular formula C12H12F2O4 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid
Also Known As: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid, 3-CYCLOPROPYLMETHOXY-4-DIFLUOROMETHOXYBENZOIC ACID, Roflumilast Impurity 9, 3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid, Roflumilast Impurity 4
| Molecular Formula | C12H12F2O4 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 2.775 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.07037 |
| Heavy Atoms | 18 |
| Complexity | 443.70358 |
Chemical Identifiers
| CAS Number | 796848-79-8 |
|---|---|
| SMILES | C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F |
Product Overview
3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid (CAS 796848-79-8), with molecular formula C12H12F2O4 and molecular weight 258.07 g/mol. IUPAC: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid.
Chemical Property Profile of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid
Property Insights of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid
The XLogP value of 2.775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid has 1 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 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid?
The CAS number of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid is 796848-79-8.
What is the molecular formula of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid?
The molecular formula of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid is C12H12F2O4.
What is the molecular weight of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid?
The molecular weight of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid is 258.07 g/mol.
Where can I buy 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid?
You can request a quote for 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)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-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.